diff --git a/.deprecated/deprecated_complete_collection.yml b/.deprecated/deprecated_complete_collection.yml new file mode 100644 index 0000000..c9476b3 --- /dev/null +++ b/.deprecated/deprecated_complete_collection.yml @@ -0,0 +1,75 @@ +!!omap +- metaData: + id: "Ecoli-GEM" + name: "The Consensus Genome-Scale Metabolic Model of Escherichia coli" + date: "2025-06-16" + version: "" + github: "https://github.com/SysBioChalmers/Ecoli-GEM" +- metabolites: +- reactions: + - !!omap + - id: GLYCK + - name: Glycerate kinase + - metabolites: !!omap + - 3pg_c: 1.0 + - adp_c: 1.0 + - atp_c: -1.0 + - glyc__R_c: -1.0 + - h_c: 1.0 + - lower_bound: 0.0 + - upper_bound: 1000.0 + - gene_reaction_rule: b0514 + - subsystem: Glyoxylate Metabolism + - annotation: !!omap + - bigg.reaction: GLYCK + - biocyc: META:GLY3KIN-RXN + - ec-code: 2.7.1.31 + - kegg.reaction: R01514 + - metanetx.reaction: MNXR100328 + - reactome.reaction: + - R-MMU-6799495 + - R-TGU-6799495 + - R-DME-6799495 + - R-GGA-6799495 + - R-RNO-6799495 + - R-XTR-6799495 + - R-DRE-6799495 + - R-HSA-6799495 + - R-SSC-6799495 + - R-BTA-6799495 + - R-CEL-6799495 + - R-CFA-6799495 + - rhea: + - '23518' + - '23519' + - '23516' + - '23517' + - sabiork: '428' + - sbo: SBO:0000176 + - seed.reaction: rxn01102 + - !!omap + - id: XYLI2 + - name: Xylose isomerase + - metabolites: !!omap + - fru_c: 1.0 + - glc__D_c: -1.0 + - lower_bound: -1000.0 + - upper_bound: 1000.0 + - gene_reaction_rule: b3565 + - subsystem: Alternate Carbon Metabolism + - annotation: !!omap + - bigg.reaction: XYLI2 + - biocyc: META:GLUCISOM-RXN + - ec-code: 5.3.1.5 + - kegg.reaction: R00307 + - metanetx.reaction: MNXR105254 + - rhea: + - '28546' + - '28547' + - '28549' + - '28548' + - sabiork: '800' + - sbo: SBO:0000176 + - seed.reaction: rxn00223 +- genes: +- compartments: diff --git a/code/curations/curation_remove_XYLI2.py b/code/curations/curation_remove_XYLI2.py new file mode 100644 index 0000000..6b660d4 --- /dev/null +++ b/code/curations/curation_remove_XYLI2.py @@ -0,0 +1,48 @@ +import cobra +from rebuild_groups import rebuild_groups_from_subsystems + +# Load and rebuild model +model_path = 'path_to_repository/Ecoli-GEM/model/Ecoli-GEM.yml' +model = cobra.io.load_yaml_model(model_path) +rebuild_groups_from_subsystems(model) + +# Metabolites of XYLI2 +metabolites = [met.id for met in model.reactions.XYLI2.metabolites] + +# remove XYLI2 +print(model.reactions.XYLI2.reaction) +print(model.reactions.XYLI1.reaction) +model.remove_reactions(['XYLI2']) + +# Check other reactions for XYLI2 metabolites +for met_id in metabolites: + met = model.metabolites.get_by_id(met_id) + print(f"\nMetabolite: {met.id} ({met.name})") + for rxn in met.reactions: + print(f" - {rxn.id}: {rxn.reaction}") + +def orphan_check(met_id): + met = model.metabolites.get_by_id(met_id) + producing = [r for r in met.reactions if met in r.products] + consuming = [r for r in met.reactions if met in r.reactants] + print(f"\n{met_id} -> Produced by: {len(producing)} reactions, Consumed by: {len(consuming)} reactions") + +for met_id in metabolites: + orphan_check(met_id) +# Metabolite results +# fru_c -> Produced by: 2 reactions, Consumed by: 1 reactions +# glc__D_c -> Produced by: 19 reactions, Consumed by: 2 reactions +# Conclusion: No dead-end reactions produced, keep all metabolites + + +# XYLI1 annotation +print(model.reactions.XYLI1.reaction) +print(model.reactions.XYLI1.annotation) +# Was MNXR105253 +model.reactions.XYLI1.annotation["metanetx.reaction"] = "MNXR146751" + +# Save model +output_path='path_to_output_dir/Ecoli-GEM.yml' +cobra.io.save_yaml_model(model, output_path, sort='True') + + diff --git a/code/curations/curations_Bernstein_2023.py b/code/curations/curations_Bernstein_2023.py new file mode 100644 index 0000000..306c14a --- /dev/null +++ b/code/curations/curations_Bernstein_2023.py @@ -0,0 +1,17 @@ +import cobra +from rebuild_groups import rebuild_groups_from_subsystems + +# Load and rebuild model +model_path = 'path_to_repository/Ecoli-GEM/model/Ecoli-GEM.yml' +model = cobra.io.load_yaml_model(model_path) +rebuild_groups_from_subsystems(model) + +#GHMT2r irreversible +print(model.reactions.GHMT2r.bounds) +model.reactions.GHMT2r.lower_bound = 0 + +# Save model +output_path='path_to_output_dir/Ecoli-GEM.yml' +cobra.io.save_yaml_model(model, output_path, sort='True') + + diff --git a/code/curations/curations_Carrao_2024.py b/code/curations/curations_Carrao_2024.py new file mode 100644 index 0000000..0c82d7e --- /dev/null +++ b/code/curations/curations_Carrao_2024.py @@ -0,0 +1,69 @@ +import cobra +from rebuild_groups import rebuild_groups_from_subsystems + +# Load and rebuild model +model_path = 'path_to_repository/Ecoli-GEM/model/Ecoli-GEM.yml' +model = cobra.io.load_yaml_model(model_path) +rebuild_groups_from_subsystems(model) + +# pntAB (THD2pp) +print(model.reactions.THD2pp.reaction) +model.reactions.THD2pp.add_metabolites({"h_c": -1, "h_p": 1}) +print(model.reactions.THD2pp.reaction) + +# glxK (b0514) to GLYCK2 & remove GLYCK +print(model.reactions.GLYCK2.gene_reaction_rule) +model.reactions.GLYCK2.gene_reaction_rule = '(b3124 or b0514)' +print(model.reactions.GLYCK2.gene_reaction_rule) + +# Metabolites of GLYCK +metabolites = [met.id for met in model.reactions.GLYCK.metabolites] + +# remove GLYCK +print(model.reactions.GLYCK.reaction) +print(model.reactions.GLYCK2.reaction) +model.remove_reactions(['GLYCK']) + +# Check other reactions for GLYCK metabolites +for met_id in metabolites: + met = model.metabolites.get_by_id(met_id) + print(f"\nMetabolite: {met.id} ({met.name})") + for rxn in met.reactions: + print(f" - {rxn.id}: {rxn.reaction}") + +def orphan_check(met_id): + met = model.metabolites.get_by_id(met_id) + producing = [r for r in met.reactions if met in r.products] + consuming = [r for r in met.reactions if met in r.reactants] + print(f"\n{met_id} -> Produced by: {len(producing)} reactions, Consumed by: {len(consuming)} reactions") + +for met_id in metabolites: + orphan_check(met_id) + +# Metabolite results +# 3pg_c -> Produced by: 2 reactions, Consumed by: 2 reactions +# adp_c -> Produced by: 279 reactions, Consumed by: 8 reactions +# atp_c -> Produced by: 4 reactions, Consumed by: 345 reactions +# glyc__R_c -> Produced by: 5 reactions, Consumed by: 2 reactions +# h_c -> Produced by: 786 reactions, Consumed by: 293 reactions +# Conclusion: No dead-end reactions produced, keep all metabolites + +# HSDy +print(model.reactions.HSDy.bounds) +print(model.reactions.HSDy.reversibility) +print(model.reactions.HSDy.reaction) +model.reactions.HSDy.lower_bound = 0 +print(model.reactions.HSDy.bounds) + +# SUCCt1pp +print(model.reactions.SUCCt1pp.bounds) +print(model.reactions.SUCCt1pp.reversibility) +print(model.reactions.SUCCt1pp.reaction) +model.reactions.SUCCt1pp.lower_bound = 0 +print(model.reactions.SUCCt1pp.bounds) + +# Save model +output_path='path_to_output_dir/Ecoli-GEM.yml' +cobra.io.save_yaml_model(model, output_path, sort='True') + + diff --git a/code/curations/curations_Mao_2022.py b/code/curations/curations_Mao_2022.py new file mode 100644 index 0000000..e542f92 --- /dev/null +++ b/code/curations/curations_Mao_2022.py @@ -0,0 +1,67 @@ +import cobra +from rebuild_groups import rebuild_groups_from_subsystems + +# Load and rebuild model +model_path = 'path_to_repository/Ecoli-GEM/model/Ecoli-GEM.yml' +model = cobra.io.load_yaml_model(model_path) +rebuild_groups_from_subsystems(model) + +print(model.reactions.FMNRx2.gene_reaction_rule) +# From b3844 or b0937 or (b2764 and b2763) +model.reactions.FMNRx2.gene_reaction_rule = '(b0937 or b3844 or b2764)' + +print(model.reactions.ARGabcpp.gene_reaction_rule) +# From (b2308 and b2306 and b2310 and b2307) or (b0864 and b0860 and b0863 and b0862 and b0861) +model.reactions.ARGabcpp.gene_reaction_rule = '( b2310 and b2308 and b2306 and b2307 ) or ( b0862 and b0860 and b0864 and b0861 ) or ( b0862 and b0864 and b0863 and b0861 )' + +print(model.reactions.ECAP1pp.gene_reaction_rule) +# From b3785 and b3793 +model.reactions.ECAP1pp.gene_reaction_rule = '( b3785 and b3793 and b3792 )' + +print(model.reactions.ECAP2pp.gene_reaction_rule) +# From b3785 and b3793 +model.reactions.ECAP2pp.gene_reaction_rule = '( b3785 and b3793 and b3792 )' + +print(model.reactions.ECAP3pp.gene_reaction_rule) +# From b3785 and b3793 +model.reactions.ECAP3pp.gene_reaction_rule = '( b3785 and b3793 and b3792 )' + +print(model.reactions.FADRx2.gene_reaction_rule) +# From b2764 and b2763 +model.reactions.FADRx2.gene_reaction_rule = '( b2764 )' + +print(model.reactions.BWCOGDS1.gene_reaction_rule) +# From (b3857 and b3856) or b3857 +model.reactions.BWCOGDS1.gene_reaction_rule = '( b3857 )' + +print(model.reactions.BWCOGDS2.gene_reaction_rule) +# From (b3857 and b3856) or b3857 +model.reactions.BWCOGDS2.gene_reaction_rule = '( b3857 )' + +print(model.reactions.THZPSN3.gene_reaction_rule) +# From b0423 and b3990 and b2530 and b3992 and b4407 +model.reactions.THZPSN3.gene_reaction_rule = '( b3992 and b3990 and b0423 and b2530 and b4407 and b3991 )' + +print(model.reactions.BMOGDS1.gene_reaction_rule) +# From b3857 or (b3857 and b3856) +model.reactions.BMOGDS1.gene_reaction_rule = '( b3857 )' + +print(model.reactions.BMOGDS2.gene_reaction_rule) +# From (b3857 and b3856) or b3857 +model.reactions.BMOGDS2.gene_reaction_rule = '( b3857 )' + +print(model.reactions.MOGDS.gene_reaction_rule) +# From (b3857 and b3856) or b3857 +model.reactions.MOGDS.gene_reaction_rule = '( b3857 )' + +print(model.reactions.get_by_id('3NTD4pp').gene_reaction_rule) +# From b4213 or b0383 or b0383 +model.reactions.get_by_id('3NTD4pp').gene_reaction_rule = '( b0383 or b4213 or b2744 )' + +print(model.reactions.GLUDy.gene_reaction_rule) +# From b1761 or (b3213 and b3212) +model.reactions.GLUDy.gene_reaction_rule = '( b1761 )' + +# Save model +output_path='path_to_output_dir/Ecoli-GEM.yml' +cobra.io.save_yaml_model(model, output_path, sort='True') diff --git a/data/testResults/macaw_results.csv b/data/testResults/macaw_results.csv index af26c9e..02486c1 100644 --- a/data/testResults/macaw_results.csv +++ b/data/testResults/macaw_results.csv @@ -623,7 +623,7 @@ CYSItpp,cysi__L_c --> cysi__L_p,cysi__L_c;cysi__L_p,ok,ok,ok,N/A CYSS,acser_c + h2s_c --> ac_c + cys__L_c + h_c,ok,ok,ok,ok,N/A CYSSADS,3sala_c + 2.0 h_c --> ala__L_c + so2_c,3sala_c;so2_c,ok,ok,ok,N/A CYSTA,akg_c + cys__L_c --> glu__L_c + mercppyr_c,mercppyr_c,ok,ok,ok,N/A -CYSTL,cyst__L_c + h2o_c --> hcys__L_c + nh4_c + pyr_c,ok,ok,ok,ok,N/A +CYSTL,cyst__L_c + h2o_c --> hcys__L_c + nh4_c + pyr_c,cyst__L_c,ok,ok,ok,N/A CYSabc2pp,atp_c + cys__L_c + h2o_c --> adp_c + cys__L_p + h_c + pi_c,ok,ok,ok,CYSabcpp,N/A CYSabcpp,atp_c + cys__L_p + h2o_c --> adp_c + cys__L_c + h_c + pi_c,ok,ok,ok,CYSabc2pp,N/A CYStex,cys__L_e <=> cys__L_p,only when going forwards,ok,ok,ok,N/A @@ -1037,7 +1037,7 @@ EX_hdca_e,hdca_e --> ,hdca_e,ok,ok,ok,N/A EX_hdcea_e,hdcea_e --> ,hdcea_e,ok,ok,ok,N/A EX_hg2_e,hg2_e --> ,hg2_e,ok,ok,ok,N/A EX_his__L_e,his__L_e --> ,ok,ok,ok,ok,N/A -EX_hom__L_e,hom__L_e --> ,ok,ok,ok,ok,N/A +EX_hom__L_e,hom__L_e --> ,hom__L_e,ok,ok,ok,N/A EX_hxa_e,hxa_e --> ,ok,ok,ok,ok,N/A EX_hxan_e,hxan_e --> ,ok,ok,ok,ok,N/A EX_idon__L_e,idon__L_e --> ,ok,ok,ok,ok,N/A @@ -1404,7 +1404,7 @@ GGGABAH,gg4abut_c + h2o_c --> 4abut_c + glu__L_c,ok,ok,ok,ok,N/A GGPTRCO,ggptrc_c + h2o_c + o2_c --> ggbutal_c + h2o2_c + nh4_c,ok,ok,ok,ok,N/A GGPTRCS,atp_c + glu__L_c + ptrc_c --> adp_c + ggptrc_c + h_c + pi_c,ok,ok,ok,ok,N/A GHBDHx,h_c + nadh_c + sucsal_c <=> ghb_c + nad_c,ghb_c,ok,ok,ok,N/A -GHMT2r,ser__L_c + thf_c <=> gly_c + h2o_c + mlthf_c,ok,ok,ok,ok,N/A +GHMT2r,ser__L_c + thf_c --> gly_c + h2o_c + mlthf_c,ok,ok,ok,ok,N/A GK1,atp_c + gmp_c <=> adp_c + gdp_c,ok,ok,ok,ok,N/A GLBRAN2,glycogen_c --> bglycogen_c,ok,ok,GLDBRAN2,GLDBRAN2,N/A GLCATr,accoa_c + glc__D_c <=> acglc__D_c + coa_c,acglc__D_c,ok,ok,ok,N/A @@ -1467,7 +1467,6 @@ GLYC3Ptex,glyc3p_e <=> glyc3p_p,only when going forwards,ok,ok,ok,N/A GLYCAt2rpp,glyc__R_p + h_p <=> glyc__R_c + h_c,only when going forwards,ok,ok,ok,N/A GLYCAtex,glyc__R_e <=> glyc__R_p,only when going forwards,ok,ok,ok,N/A GLYCDx,glyc_c + nad_c --> dha_c + h_c + nadh_c,ok,ok,ok,ok,N/A -GLYCK,atp_c + glyc__R_c --> 3pg_c + adp_c + h_c,ok,ok,ok,ok,N/A GLYCK2,atp_c + glyc__R_c --> 2pg_c + adp_c + h_c,ok,ok,ok,ok,N/A GLYCL,gly_c + nad_c + thf_c --> co2_c + mlthf_c + nadh_c + nh4_c,ok,ok,ok,ok,N/A GLYCLTDx,glx_c + h_c + nadh_c --> glyclt_c + nad_c,ok,ok,ok,ok,N/A @@ -1590,8 +1589,8 @@ HKNDDH,h2o_c + hkndd_c --> h_c + op4en_c + succ_c,hkndd_c;op4en_c,ok,ok,ok,N/A HKNTDH,h2o_c + hkntd_c --> fum_c + h_c + op4en_c,hkntd_c;op4en_c,ok,ok,ok,N/A HMBS,h2o_c + 4.0 ppbng_c --> hmbil_c + 4.0 nh4_c,ok,ok,ok,ok,N/A HMPK1,4ahmmp_c + atp_c --> 4ampm_c + adp_c + h_c,4ahmmp_c,ok,ok,ok,N/A -HOMt2pp,h_p + hom__L_c --> h_c + hom__L_p,ok,ok,ok,ok,N/A -HOMtex,hom__L_e <=> hom__L_p,only when going forwards,ok,ok,ok,N/A +HOMt2pp,h_p + hom__L_c --> h_c + hom__L_p,hom__L_c;hom__L_p,ok,ok,ok,N/A +HOMtex,hom__L_e <=> hom__L_p,hom__L_e;hom__L_p,ok,ok,ok,N/A HOPNTAL,4h2opntn_c --> acald_c + pyr_c,4h2opntn_c,ok,ok,ok,N/A HPACOAT,34dphacoa_c + h2o_c --> 34dhpha_c + coa_c + h_c,34dhpha_c;34dphacoa_c,ok,ok,ok,N/A HPPK2,6hmhpt_c + atp_c --> 6hmhptpp_c + amp_c + h_c,ok,ok,ok,ok,N/A @@ -1602,9 +1601,9 @@ HPYRI,hpyr_c <=> 2h3oppan_c,ok,ok,ok,ok,N/A HPYRP,3php_c + h2o_c --> hpyr_c + pi_c,ok,ok,ok,ok,N/A HPYRRx,h_c + hpyr_c + nadh_c --> glyc__R_c + nad_c,ok,ok,ok,ok,N/A HPYRRy,h_c + hpyr_c + nadph_c --> glyc__R_c + nadp_c,ok,ok,ok,ok,N/A -HSDy,hom__L_c + nadp_c <=> aspsa_c + h_c + nadph_c,only when going forwards,ok,ok,ok,N/A -HSK,atp_c + hom__L_c --> adp_c + h_c + phom_c,ok,ok,ok,ok,N/A -HSST,hom__L_c + succoa_c --> coa_c + suchms_c,ok,ok,ok,ok,N/A +HSDy,hom__L_c + nadp_c --> aspsa_c + h_c + nadph_c,hom__L_c,ok,ok,ok,N/A +HSK,atp_c + hom__L_c --> adp_c + h_c + phom_c,hom__L_c;phom_c,ok,ok,ok,N/A +HSST,hom__L_c + succoa_c --> coa_c + suchms_c,hom__L_c;suchms_c,ok,ok,ok,N/A HSTPT,glu__L_c + imacp_c --> akg_c + hisp_c,ok,ok,ok,ok,N/A HXAND,h2o_c + hxan_c + nad_c --> h_c + nadh_c + xan_c,ok,ok,ok,ok,N/A HXAtex,hxa_e <=> hxa_p,only when going forwards,ok,ok,ok,N/A @@ -2473,7 +2472,7 @@ SHCHF,fe2_c + scl_c --> 3.0 h_c + sheme_c,ok,ok,ok,ok,N/A SHGO,S2hglut_c + o2_c --> akg_c + h2o2_c,ok,ok,ok,ok,N/A SHK3Dr,3dhsk_c + h_c + nadph_c <=> nadp_c + skm_c,only when going backwards,ok,ok,ok,N/A SHKK,atp_c + skm_c --> adp_c + h_c + skm5p_c,ok,ok,ok,ok,N/A -SHSL1,cys__L_c + suchms_c --> cyst__L_c + h_c + succ_c,ok,ok,ok,ok,N/A +SHSL1,cys__L_c + suchms_c --> cyst__L_c + h_c + succ_c,cyst__L_c;suchms_c,ok,ok,ok,N/A SKMt2pp,h_p + skm_p --> h_c + skm_c,skm_p,ok,ok,ok,N/A SKMtex,skm_e <=> skm_p,skm_e;skm_p,ok,ok,ok,N/A SLNTabcpp,atp_c + h2o_c + slnt_p --> adp_c + h_c + pi_c + slnt_c,slnt_c;slnt_p,ok,ok,ok,N/A @@ -2501,7 +2500,7 @@ SSALy,h2o_c + nadp_c + sucsal_c --> 2.0 h_c + nadph_c + succ_c,ok,ok,ok,ok,N/A SUCASPtpp,asp__L_p + succ_c <=> asp__L_c + succ_p,ok,ok,ok,ok,N/A SUCBZL,atp_c + coa_c + sucbz_c --> amp_c + ppi_c + sbzcoa_c,ok,ok,ok,ok,N/A SUCBZS,2shchc_c --> h2o_c + sucbz_c,ok,ok,ok,ok,N/A -SUCCt1pp,succ_p <=> succ_c,ok,ok,ok,ok,N/A +SUCCt1pp,succ_p --> succ_c,ok,ok,ok,ok,N/A SUCCt2_2pp,2.0 h_p + succ_p --> 2.0 h_c + succ_c,ok,ok,ok,SUCCt2_3pp,N/A SUCCt2_3pp,3.0 h_p + succ_p --> 3.0 h_c + succ_c,ok,ok,ok,SUCCt2_2pp,N/A SUCCtex,succ_e <=> succ_p,only when going forwards,ok,ok,ok,N/A @@ -2539,7 +2538,7 @@ TDSR1,dsbcox_p + dsbdrd_c --> dsbcrd_p + dsbdox_c,dsbcox_p;dsbcrd_p;dsbdox_c;dsb TDSR2,dsbdrd_c + dsbgox_p --> dsbdox_c + dsbgrd_p,dsbdox_c;dsbdrd_c;dsbgox_p;dsbgrd_p,ok,ok,ok,N/A TEO2M,amet_c + teo2_c --> ahcys_c + mteo2_c,mteo2_c;teo2_c,ok,ok,ok,N/A TGBPA,tagdp__D_c <=> dhap_c + g3p_c,tagdp__D_c,ok,ok,ok,N/A -THD2pp,2.0 h_p + nadh_c + nadp_c --> 2.0 h_c + nad_c + nadph_c,ok,ok,ok,ok,N/A +THD2pp,h_p + nadh_c + nadp_c --> h_c + nad_c + nadph_c,ok,ok,ok,ok,N/A THDPS,h2o_c + succoa_c + thdp_c --> coa_c + sl2a6o_c,ok,ok,ok,ok,N/A THFAT,h2o_c + methf_c --> 5fthf_c + h_c,ok,ok,FOMETRi,FOMETRi,N/A THIORDXi,h2o2_c + trdrd_c --> 2.0 h2o_c + trdox_c,ok,ok,ok,ok,N/A @@ -2553,7 +2552,7 @@ THRA2,athr__L_c --> acald_c + gly_c,ok,ok,ok,ok,N/A THRD,nad_c + thr__L_c --> 2aobut_c + h_c + nadh_c,ok,ok,ok,ok,N/A THRD_L,thr__L_c --> 2obut_c + nh4_c,ok,ok,ok,ok,N/A THRPtex,thrp_e <=> thrp_p,thrp_e;thrp_p,ok,ok,ok,N/A -THRS,h2o_c + phom_c --> pi_c + thr__L_c,ok,ok,ok,ok,N/A +THRS,h2o_c + phom_c --> pi_c + thr__L_c,phom_c,ok,ok,ok,N/A THRabcpp,atp_c + h2o_c + thr__L_p --> adp_c + h_c + pi_c + thr__L_c,ok,ok,ok,ok,N/A THRt2pp,h_p + thr__L_c --> h_c + thr__L_p,ok,ok,ok,THRt2rpp,N/A THRt2rpp,h_p + thr__L_p --> h_c + thr__L_c,ok,ok,ok,THRt2pp,N/A @@ -2697,7 +2696,6 @@ XTSNt2rpp,h_p + xtsn_p <=> h_c + xtsn_c,only when going forwards,ok,ok,ok,N/A XTSNtex,xtsn_e <=> xtsn_p,only when going forwards,ok,ok,ok,N/A XYHDL,h2o_c + iprimv_c --> glc__D_c + xyl__D_c,iprimv_c;xyl__D_c,ok,ok,ok,N/A XYLI1,xyl__D_c <=> xylu__D_c,xyl__D_c;xylu__D_c,ok,ok,ok,N/A -XYLI2,glc__D_c <=> fru_c,ok,ok,ok,ok,N/A XYLK,atp_c + xylu__D_c --> adp_c + h_c + xu5p__D_c,xylu__D_c,ok,ok,ok,N/A XYLK2,atp_c + xylu__L_c --> adp_c + h_c + xu5p__L_c,xu5p__L_c;xylu__L_c,ok,ok,ok,N/A XYLUt2pp,h_p + xylu__L_p --> h_c + xylu__L_c,xylu__L_c;xylu__L_p,ok,ok,ok,N/A diff --git a/data/testResults/macaw_summary.md b/data/testResults/macaw_summary.md index 6b05e3b..e575b3f 100644 --- a/data/testResults/macaw_summary.md +++ b/data/testResults/macaw_summary.md @@ -1,7 +1,7 @@ Starting dead-end test... - - Found 682 dead-end metabolites. - - Found 866 reactions incapable of sustaining steady-state fluxes in either direction due to these dead-ends. - - Found 246 reversible reactions that can only carry steady-state fluxes in a single direction due to dead-ends. + - Found 688 dead-end metabolites. + - Found 875 reactions incapable of sustaining steady-state fluxes in either direction due to these dead-ends. + - Found 244 reversible reactions that can only carry steady-state fluxes in a single direction due to dead-ends. Starting duplicate test... - Skipping redox duplicates because no redox_pairs and/or proton_ids were provided. - Found 77 reactions that were some type of duplicate: diff --git a/model/Ecoli-GEM.yml b/model/Ecoli-GEM.yml index b54d859..76cae28 100644 --- a/model/Ecoli-GEM.yml +++ b/model/Ecoli-GEM.yml @@ -2,7 +2,7 @@ - metaData: id: "Ecoli-GEM" name: "The Consensus Genome-Scale Metabolic Model of Escherichia coli" - date: "2025-05-15" + date: "2025-06-11" version: "" github: "https://github.com/SysBioChalmers/Ecoli-GEM" - metabolites: @@ -319,8 +319,7 @@ - CHEBI:14902 - CHEBI:26286 - CHEBI:16109 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/7987e84d-4979-49a1-974e-6d9a36411041 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/7987e84d-4979-49a1-974e-6d9a36411041 - kegg.compound: C02457 - metanetx.chemical: MNXM2861 - sabiork: '2417' @@ -1947,8 +1946,7 @@ - CHEBI:21210 - CHEBI:37012 - CHEBI:58671 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/a5f22d9e-2c03-4186-94c9-b4a32eb48adb + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/a5f22d9e-2c03-4186-94c9-b4a32eb48adb - kegg.compound: C11822 - metanetx.chemical: MNXM2124 - sbo: SBO:0000247 @@ -2854,8 +2852,7 @@ - chebi: - CHEBI:63252 - CHEBI:63251 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/3dfebe6c-c2b9-490b-8a0b-a10c16c4700f + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/3dfebe6c-c2b9-490b-8a0b-a10c16c4700f - kegg.compound: C19975 - metanetx.chemical: MNXM2851 - sbo: SBO:0000247 @@ -3126,8 +3123,7 @@ - CHEBI:11727 - CHEBI:42422 - CHEBI:1431 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/f2e806ef-76ea-4ddf-bf89-db7737caa79b + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/f2e806ef-76ea-4ddf-bf89-db7737caa79b - hmdb: HMDB00707 - kegg.compound: C01179 - metanetx.chemical: MNXM153 @@ -3524,8 +3520,7 @@ - CHEBI:71038 - CHEBI:34002 - CHEBI:70990 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/5bf44b24-e859-4cb6-9efd-d350969bc5f5 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/5bf44b24-e859-4cb6-9efd-d350969bc5f5 - hmdb: - HMDB62352 - HMDB12475 @@ -3552,8 +3547,7 @@ - CHEBI:11048 - CHEBI:39978 - CHEBI:57316 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/52913599-1749-4913-8cc4-b6c15d72ad5e + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/52913599-1749-4913-8cc4-b6c15d72ad5e - hmdb: HMDB62259 - kegg.compound: C01144 - lipidmaps: LMFA07050153 @@ -3950,8 +3944,7 @@ - CHEBI:20071 - CHEBI:33404 - CHEBI:16510 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/bd10562a-7c1b-4ef8-a422-80f89844ef72 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/bd10562a-7c1b-4ef8-a422-80f89844ef72 - hmdb: HMDB00700 - kegg.compound: C01013 - metanetx.chemical: MNXM872 @@ -3975,8 +3968,7 @@ - CHEBI:20071 - CHEBI:33404 - CHEBI:16510 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/bd10562a-7c1b-4ef8-a422-80f89844ef72 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/bd10562a-7c1b-4ef8-a422-80f89844ef72 - hmdb: HMDB00700 - kegg.compound: C01013 - metanetx.chemical: MNXM872 @@ -4000,8 +3992,7 @@ - CHEBI:20071 - CHEBI:33404 - CHEBI:16510 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/bd10562a-7c1b-4ef8-a422-80f89844ef72 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/bd10562a-7c1b-4ef8-a422-80f89844ef72 - hmdb: HMDB00700 - kegg.compound: C01013 - metanetx.chemical: MNXM872 @@ -4022,8 +4013,7 @@ - CHEBI:17871 - CHEBI:20078 - CHEBI:11835 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/6458b515-6bde-43bf-a85a-1f4c966ad3e6 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/6458b515-6bde-43bf-a85a-1f4c966ad3e6 - hmdb: HMDB03453 - kegg.compound: C00969 - metanetx.chemical: MNXM1526 @@ -4140,8 +4130,7 @@ - CHEBI:20115 - CHEBI:1584 - CHEBI:16530 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/dee66401-4b7f-4203-8ee3-fa61f1f45f03 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/dee66401-4b7f-4203-8ee3-fa61f1f45f03 - hmdb: - HMDB04260 - HMDB00019 @@ -4528,8 +4517,7 @@ - chebi: - CHEBI:63253 - CHEBI:63255 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/6ee3d25d-86c2-4734-a684-74b0f8510d20 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/6ee3d25d-86c2-4734-a684-74b0f8510d20 - kegg.compound: C19945 - lipidmaps: LMFA07050236 - metanetx.chemical: MNXM3852 @@ -4629,8 +4617,7 @@ - CHEBI:1664 - CHEBI:224037 - CHEBI:11889 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/aa80c146-8c4c-4ce4-9276-0d8d56942369 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/aa80c146-8c4c-4ce4-9276-0d8d56942369 - hmdb: - HMDB00996 - HMDB60179 @@ -4703,8 +4690,7 @@ - CHEBI:11961 - CHEBI:59888 - CHEBI:20318 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/e90ecce1-b9b5-49f9-85d9-b83421426cbb + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/e90ecce1-b9b5-49f9-85d9-b83421426cbb - hmdb: HMDB00112 - kegg.compound: C00334 - kegg.drug: D00058 @@ -4737,8 +4723,7 @@ - CHEBI:11961 - CHEBI:59888 - CHEBI:20318 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/e90ecce1-b9b5-49f9-85d9-b83421426cbb + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/e90ecce1-b9b5-49f9-85d9-b83421426cbb - hmdb: HMDB00112 - kegg.compound: C00334 - kegg.drug: D00058 @@ -4771,8 +4756,7 @@ - CHEBI:11961 - CHEBI:59888 - CHEBI:20318 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/e90ecce1-b9b5-49f9-85d9-b83421426cbb + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/e90ecce1-b9b5-49f9-85d9-b83421426cbb - hmdb: HMDB00112 - kegg.compound: C00334 - kegg.drug: D00058 @@ -4829,8 +4813,7 @@ - CHEBI:20315 - CHEBI:17836 - CHEBI:1783 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/a5ad09dc-a75c-4ad4-8917-a62ebefdc941 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/a5ad09dc-a75c-4ad4-8917-a62ebefdc941 - hmdb: HMDB01392 - kegg.compound: C00568 - kegg.drug: D02456 @@ -4901,8 +4884,7 @@ - CHEBI:1781 - CHEBI:16892 - CHEBI:20312 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/05e806c1-5e9c-4cd7-b31a-1cff94880c8a + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/05e806c1-5e9c-4cd7-b31a-1cff94880c8a - kegg.compound: C01279 - metanetx.chemical: MNXM874 - sabiork: '5497' @@ -4955,8 +4937,7 @@ - CHEBI:44726 - CHEBI:17847 - CHEBI:11981 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/b1f893aa-04c5-4a93-b65f-6b42cd0dc97f + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/b1f893aa-04c5-4a93-b65f-6b42cd0dc97f - hmdb: - HMDB13762 - HMDB01858 @@ -6169,8 +6150,7 @@ - CHEBI:12764 - CHEBI:57688 - CHEBI:8956 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/d4e9e4f7-3585-4e9c-92d7-3860ef127777 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/d4e9e4f7-3585-4e9c-92d7-3860ef127777 - hmdb: - HMDB01550 - HMDB62625 @@ -6198,8 +6178,7 @@ - CHEBI:42833 - CHEBI:22486 - CHEBI:13766 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/f730ed9b-d11c-482f-a9ba-ac22fc782cc2 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/f730ed9b-d11c-482f-a9ba-ac22fc782cc2 - kegg.compound: C06735 - metanetx.chemical: MNXM2212 - sabiork: '2912' @@ -6222,8 +6201,7 @@ - CHEBI:11756 - CHEBI:41333 - CHEBI:57286 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/e8a0c5c5-e9b1-4f85-94c1-d3d04866d6c9 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/e8a0c5c5-e9b1-4f85-94c1-d3d04866d6c9 - hmdb: - HMDB01484 - HMDB11665 @@ -6254,8 +6232,7 @@ - CHEBI:17906 - CHEBI:13767 - CHEBI:42849 - - envipath: - 5882df9c-dae1-4d80-a40e-db4724271456/compound/c7d3904a-a2ab-4e04-8933-d57d61dca653 + - envipath: 5882df9c-dae1-4d80-a40e-db4724271456/compound/c7d3904a-a2ab-4e04-8933-d57d61dca653 - hmdb: - HMDB60177 - HMDB02134 @@ -6615,8 +6592,7 @@ - CHEBI:19414 - CHEBI:21602 - CHEBI:32578 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/685af208-3a2e-4b98-875d-0c9154d9272c + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/685af208-3a2e-4b98-875d-0c9154d9272c - kegg.compound: C06332 - metanetx.chemical: MNXM1939 - sbo: SBO:0000247 @@ -6637,8 +6613,7 @@ - CHEBI:13712 - CHEBI:2408 - CHEBI:40470 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/57bd5e24-9d14-4b91-bc60-64c8ea6c2d11 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/57bd5e24-9d14-4b91-bc60-64c8ea6c2d11 - hmdb: HMDB01206 - kegg.compound: C00024 - lipidmaps: @@ -6668,8 +6643,7 @@ - CHEBI:27957 - CHEBI:5796 - CHEBI:24666 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/090b3a12-aba4-4202-9b9c-f30232d329f0 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/090b3a12-aba4-4202-9b9c-f30232d329f0 - hmdb: HMDB06961 - kegg.compound: C05235 - metanetx.chemical: MNXM1744 @@ -7375,8 +7349,7 @@ - CHEBI:32805 - CHEBI:23308 - CHEBI:10482 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/643481e5-a35b-477e-8665-70f4dca66baa + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/643481e5-a35b-477e-8665-70f4dca66baa - hmdb: - HMDB00461 - HMDB00072 @@ -8323,8 +8296,7 @@ - CHEBI:10343 - CHEBI:57966 - CHEBI:41050 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/0352ab69-1208-420e-b7c9-87b5b436f4df + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/0352ab69-1208-420e-b7c9-87b5b436f4df - hmdb: HMDB00056 - kegg.compound: C00099 - kegg.drug: D07561 @@ -8352,8 +8324,7 @@ - CHEBI:10343 - CHEBI:57966 - CHEBI:41050 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/0352ab69-1208-420e-b7c9-87b5b436f4df + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/0352ab69-1208-420e-b7c9-87b5b436f4df - hmdb: HMDB00056 - kegg.compound: C00099 - kegg.drug: D07561 @@ -8381,8 +8352,7 @@ - CHEBI:10343 - CHEBI:57966 - CHEBI:41050 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/0352ab69-1208-420e-b7c9-87b5b436f4df + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/0352ab69-1208-420e-b7c9-87b5b436f4df - hmdb: HMDB00056 - kegg.compound: C00099 - kegg.drug: D07561 @@ -9273,8 +9243,7 @@ - CHEBI:13841 - CHEBI:22577 - CHEBI:2757 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/ec511e59-d2cf-482d-ae9f-7f4dd74818c2 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/ec511e59-d2cf-482d-ae9f-7f4dd74818c2 - hmdb: HMDB01123 - kegg.compound: C00108 - metanetx.chemical: MNXM188 @@ -9431,8 +9400,7 @@ - CHEBI:10963 - CHEBI:19030 - CHEBI:303 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/d0a37a0c-a6b5-45b9-b8cd-3d633776e4a3 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/d0a37a0c-a6b5-45b9-b8cd-3d633776e4a3 - hmdb: HMDB12136 - kegg.compound: - C05771 @@ -10110,8 +10078,7 @@ - CHEBI:29243 - CHEBI:29866 - CHEBI:29242 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/42d95b9b-3aca-45eb-a99d-ef775cb20524 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/42d95b9b-3aca-45eb-a99d-ef775cb20524 - hmdb: HMDB11620 - kegg.compound: C06697 - metanetx.chemical: MNXM658 @@ -10141,8 +10108,7 @@ - CHEBI:29243 - CHEBI:29866 - CHEBI:29242 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/42d95b9b-3aca-45eb-a99d-ef775cb20524 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/42d95b9b-3aca-45eb-a99d-ef775cb20524 - hmdb: HMDB11620 - kegg.compound: C06697 - metanetx.chemical: MNXM658 @@ -10172,8 +10138,7 @@ - CHEBI:29243 - CHEBI:29866 - CHEBI:29242 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/42d95b9b-3aca-45eb-a99d-ef775cb20524 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/42d95b9b-3aca-45eb-a99d-ef775cb20524 - hmdb: HMDB11620 - kegg.compound: C06697 - metanetx.chemical: MNXM658 @@ -10202,8 +10167,7 @@ - CHEBI:2844 - CHEBI:22629 - CHEBI:18231 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/090d280e-0ebf-4fab-bb54-3a3933e7a5fe + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/090d280e-0ebf-4fab-bb54-3a3933e7a5fe - hmdb: HMDB12190 - kegg.compound: - C01478 @@ -10239,8 +10203,7 @@ - CHEBI:40853 - CHEBI:29992 - CHEBI:40900 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/4b0cdcb0-137a-4ddc-8e5c-2b55ea238c15 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/4b0cdcb0-137a-4ddc-8e5c-2b55ea238c15 - hmdb: - HMDB62186 - HMDB62501 @@ -10285,8 +10248,7 @@ - CHEBI:40853 - CHEBI:29992 - CHEBI:40900 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/4b0cdcb0-137a-4ddc-8e5c-2b55ea238c15 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/4b0cdcb0-137a-4ddc-8e5c-2b55ea238c15 - hmdb: - HMDB62186 - HMDB62501 @@ -10331,8 +10293,7 @@ - CHEBI:40853 - CHEBI:29992 - CHEBI:40900 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/4b0cdcb0-137a-4ddc-8e5c-2b55ea238c15 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/4b0cdcb0-137a-4ddc-8e5c-2b55ea238c15 - hmdb: - HMDB62186 - HMDB62501 @@ -10472,8 +10433,7 @@ - CHEBI:13921 - CHEBI:41612 - CHEBI:58669 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c0e5f008-6d8b-4b94-a265-03d19ff197f4 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c0e5f008-6d8b-4b94-a265-03d19ff197f4 - hmdb: - HMDB62466 - HMDB02009 @@ -10582,8 +10542,7 @@ - CHEBI:3233 - CHEBI:15743 - CHEBI:13923 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/242f8a4e-2a91-4c5f-a129-d044d115b969 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/242f8a4e-2a91-4c5f-a129-d044d115b969 - hmdb: HMDB03543 - kegg.compound: C01412 - metanetx.chemical: MNXM1017 @@ -10606,8 +10565,7 @@ - CHEBI:3235 - CHEBI:15517 - CHEBI:13926 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/dcfe6e71-5e24-4086-91a3-076df362da44 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/dcfe6e71-5e24-4086-91a3-076df362da44 - hmdb: HMDB01088 - kegg.compound: C00136 - lipidmaps: LMFA07050292 @@ -11350,8 +11308,7 @@ - CHEBI:60087 - CHEBI:48690 - CHEBI:60088 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/98ef2d5b-75f7-4313-90f9-30f649403e35 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/98ef2d5b-75f7-4313-90f9-30f649403e35 - metanetx.chemical: MNXM1636 - sbo: SBO:0000247 - !!omap @@ -11421,8 +11378,7 @@ - CHEBI:49071 - CHEBI:60108 - CHEBI:61451 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/916b6989-0170-4531-998d-de0420436691 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/916b6989-0170-4531-998d-de0420436691 - kegg.compound: C12622 - metanetx.chemical: MNXM2161 - sbo: SBO:0000247 @@ -12515,8 +12471,7 @@ - CHEBI:15346 - CHEBI:3771 - CHEBI:13294 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/19310484-6aa5-4dcf-b1da-855a8c21ecfd + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/19310484-6aa5-4dcf-b1da-855a8c21ecfd - hmdb: - HMDB01423 - HMDB62184 @@ -13464,8 +13419,7 @@ - CHEBI:29195 - CHEBI:23422 - CHEBI:28024 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/20a1ab57-2ac5-44c6-8390-60706fcc3fa1 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/20a1ab57-2ac5-44c6-8390-60706fcc3fa1 - hmdb: HMDB02078 - kegg.compound: C01417 - metanetx.chemical: MNXM1191 @@ -13488,8 +13442,7 @@ - CHEBI:29195 - CHEBI:23422 - CHEBI:28024 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/20a1ab57-2ac5-44c6-8390-60706fcc3fa1 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/20a1ab57-2ac5-44c6-8390-60706fcc3fa1 - hmdb: HMDB02078 - kegg.compound: C01417 - metanetx.chemical: MNXM1191 @@ -13512,8 +13465,7 @@ - CHEBI:29195 - CHEBI:23422 - CHEBI:28024 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/20a1ab57-2ac5-44c6-8390-60706fcc3fa1 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/20a1ab57-2ac5-44c6-8390-60706fcc3fa1 - hmdb: HMDB02078 - kegg.compound: C01417 - metanetx.chemical: MNXM1191 @@ -14593,8 +14545,7 @@ - CHEBI:41874 - CHEBI:14188 - CHEBI:14501 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/74d61ac3-3daa-4b6c-b746-ada3812ec3c7 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/74d61ac3-3daa-4b6c-b746-ada3812ec3c7 - hmdb: HMDB03571 - kegg.compound: C01832 - lipidmaps: @@ -14737,8 +14688,7 @@ - chebi: - CHEBI:71259 - CHEBI:26634 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/827fc514-4527-4f8f-8df2-fe7ba01da727 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/827fc514-4527-4f8f-8df2-fe7ba01da727 - kegg.compound: C18870 - metanetx.chemical: MNXM7767 - reactome.compound: '5357667' @@ -14856,8 +14806,7 @@ - CHEBI:16016 - CHEBI:39809 - CHEBI:5453 - - envipath: - 4fd7f3e0-dd25-43ac-9453-dda3e52396e4/compound/88a6ccc5-fd05-4708-9244-5bc7a155dbbf + - envipath: 4fd7f3e0-dd25-43ac-9453-dda3e52396e4/compound/88a6ccc5-fd05-4708-9244-5bc7a155dbbf - hmdb: HMDB01882 - kegg.compound: C00184 - kegg.drug: D07841 @@ -14880,8 +14829,7 @@ - CHEBI:16016 - CHEBI:39809 - CHEBI:5453 - - envipath: - 4fd7f3e0-dd25-43ac-9453-dda3e52396e4/compound/88a6ccc5-fd05-4708-9244-5bc7a155dbbf + - envipath: 4fd7f3e0-dd25-43ac-9453-dda3e52396e4/compound/88a6ccc5-fd05-4708-9244-5bc7a155dbbf - hmdb: HMDB01882 - kegg.compound: C00184 - kegg.drug: D07841 @@ -14904,8 +14852,7 @@ - CHEBI:16016 - CHEBI:39809 - CHEBI:5453 - - envipath: - 4fd7f3e0-dd25-43ac-9453-dda3e52396e4/compound/88a6ccc5-fd05-4708-9244-5bc7a155dbbf + - envipath: 4fd7f3e0-dd25-43ac-9453-dda3e52396e4/compound/88a6ccc5-fd05-4708-9244-5bc7a155dbbf - hmdb: HMDB01882 - kegg.compound: C00184 - kegg.drug: D07841 @@ -14964,8 +14911,7 @@ - CHEBI:58642 - CHEBI:48681 - CHEBI:32356 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/ca1afb6b-2124-4ca0-9740-8c757c0ea104 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/ca1afb6b-2124-4ca0-9740-8c757c0ea104 - hmdb: HMDB32057 - kegg.compound: C12623 - metanetx.chemical: MNXM1130 @@ -15147,8 +15093,7 @@ - CHEBI:1419 - CHEBI:19919 - CHEBI:11718 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/41182ed7-9bc7-4ca9-82dc-53a07e6cc91d + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/41182ed7-9bc7-4ca9-82dc-53a07e6cc91d - kegg.compound: C04044 - metanetx.chemical: MNXM826 - sabiork: '7038' @@ -15557,8 +15502,7 @@ - CHEBI:23800 - CHEBI:14175 - CHEBI:14168 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/26c081a5-2c2d-4e64-bd11-0d80376989ba + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/26c081a5-2c2d-4e64-bd11-0d80376989ba - hmdb: HMDB02303 - kegg.compound: C00580 - metanetx.chemical: MNXM444 @@ -15581,8 +15525,7 @@ - CHEBI:23800 - CHEBI:14175 - CHEBI:14168 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/26c081a5-2c2d-4e64-bd11-0d80376989ba + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/26c081a5-2c2d-4e64-bd11-0d80376989ba - hmdb: HMDB02303 - kegg.compound: C00580 - metanetx.chemical: MNXM444 @@ -15605,8 +15548,7 @@ - CHEBI:23800 - CHEBI:14175 - CHEBI:14168 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/26c081a5-2c2d-4e64-bd11-0d80376989ba + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/26c081a5-2c2d-4e64-bd11-0d80376989ba - hmdb: HMDB02303 - kegg.compound: C00580 - metanetx.chemical: MNXM444 @@ -15627,8 +15569,7 @@ - CHEBI:4612 - CHEBI:42138 - CHEBI:28262 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/455cdb68-acf9-42fe-a3f8-420236744cc5 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/455cdb68-acf9-42fe-a3f8-420236744cc5 - hmdb: HMDB02151 - kegg.compound: C11143 - kegg.drug: D01043 @@ -15649,8 +15590,7 @@ - CHEBI:4612 - CHEBI:42138 - CHEBI:28262 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/455cdb68-acf9-42fe-a3f8-420236744cc5 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/455cdb68-acf9-42fe-a3f8-420236744cc5 - hmdb: HMDB02151 - kegg.compound: C11143 - kegg.drug: D01043 @@ -15671,8 +15611,7 @@ - CHEBI:4612 - CHEBI:42138 - CHEBI:28262 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/455cdb68-acf9-42fe-a3f8-420236744cc5 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/455cdb68-acf9-42fe-a3f8-420236744cc5 - hmdb: HMDB02151 - kegg.compound: C11143 - kegg.drug: D01043 @@ -15724,8 +15663,7 @@ - CHEBI:43686 - CHEBI:18243 - CHEBI:59905 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/47cc810c-1f1f-4351-82ca-b97abf5dc03c + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/47cc810c-1f1f-4351-82ca-b97abf5dc03c - hmdb: HMDB00073 - kegg.compound: C03758 - kegg.drug: D07870 @@ -15757,8 +15695,7 @@ - CHEBI:43686 - CHEBI:18243 - CHEBI:59905 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/47cc810c-1f1f-4351-82ca-b97abf5dc03c + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/47cc810c-1f1f-4351-82ca-b97abf5dc03c - hmdb: HMDB00073 - kegg.compound: C03758 - kegg.drug: D07870 @@ -18653,8 +18590,7 @@ - CHEBI:29806 - CHEBI:22958 - CHEBI:24122 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/709035ec-4868-4de8-9095-06428f6be14b + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/709035ec-4868-4de8-9095-06428f6be14b - hmdb: HMDB00134 - kegg.compound: C00122 - kegg.drug: D02308 @@ -18689,8 +18625,7 @@ - CHEBI:29806 - CHEBI:22958 - CHEBI:24122 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/709035ec-4868-4de8-9095-06428f6be14b + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/709035ec-4868-4de8-9095-06428f6be14b - hmdb: HMDB00134 - kegg.compound: C00122 - kegg.drug: D02308 @@ -18725,8 +18660,7 @@ - CHEBI:29806 - CHEBI:22958 - CHEBI:24122 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/709035ec-4868-4de8-9095-06428f6be14b + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/709035ec-4868-4de8-9095-06428f6be14b - hmdb: HMDB00134 - kegg.compound: C00122 - kegg.drug: D02308 @@ -20549,8 +20483,7 @@ - CHEBI:386065 - CHEBI:16724 - CHEBI:20401 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/a41e6b76-b462-49d4-ae42-391ef00bf98c + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/a41e6b76-b462-49d4-ae42-391ef00bf98c - hmdb: - HMDB15507 - HMDB00710 @@ -22798,8 +22731,7 @@ - CHEBI:14372 - CHEBI:24443 - CHEBI:5563 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/b5208daa-3750-4745-b4ed-179fb9d4fcfd + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/b5208daa-3750-4745-b4ed-179fb9d4fcfd - hmdb: HMDB00132 - kegg.compound: C00242 - metanetx.chemical: MNXM259 @@ -22823,8 +22755,7 @@ - CHEBI:14372 - CHEBI:24443 - CHEBI:5563 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/b5208daa-3750-4745-b4ed-179fb9d4fcfd + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/b5208daa-3750-4745-b4ed-179fb9d4fcfd - hmdb: HMDB00132 - kegg.compound: C00242 - metanetx.chemical: MNXM259 @@ -22848,8 +22779,7 @@ - CHEBI:14372 - CHEBI:24443 - CHEBI:5563 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/b5208daa-3750-4745-b4ed-179fb9d4fcfd + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/b5208daa-3750-4745-b4ed-179fb9d4fcfd - hmdb: HMDB00132 - kegg.compound: C00242 - metanetx.chemical: MNXM259 @@ -23646,8 +23576,7 @@ - CHEBI:24541 - CHEBI:24550 - CHEBI:29889 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/dc7314a1-8e9a-410f-be4f-f7d8bf32b1cb + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/dc7314a1-8e9a-410f-be4f-f7d8bf32b1cb - hmdb: - HMDB60083 - HMDB00220 @@ -23690,8 +23619,7 @@ - CHEBI:24541 - CHEBI:24550 - CHEBI:29889 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/dc7314a1-8e9a-410f-be4f-f7d8bf32b1cb + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/dc7314a1-8e9a-410f-be4f-f7d8bf32b1cb - hmdb: - HMDB60083 - HMDB00220 @@ -23734,8 +23662,7 @@ - CHEBI:24541 - CHEBI:24550 - CHEBI:29889 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/dc7314a1-8e9a-410f-be4f-f7d8bf32b1cb + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/dc7314a1-8e9a-410f-be4f-f7d8bf32b1cb - hmdb: - HMDB60083 - HMDB00220 @@ -23902,8 +23829,7 @@ - CHEBI:16793 - CHEBI:49640 - CHEBI:5714 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/79a26c21-7769-4377-9880-413b45e89afe + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/79a26c21-7769-4377-9880-413b45e89afe - hmdb: HMDB03625 - kegg.compound: C00703 - metanetx.chemical: MNXM1562 @@ -23925,8 +23851,7 @@ - CHEBI:16793 - CHEBI:49640 - CHEBI:5714 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/79a26c21-7769-4377-9880-413b45e89afe + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/79a26c21-7769-4377-9880-413b45e89afe - hmdb: HMDB03625 - kegg.compound: C00703 - metanetx.chemical: MNXM1562 @@ -23948,8 +23873,7 @@ - CHEBI:16793 - CHEBI:49640 - CHEBI:5714 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/79a26c21-7769-4377-9880-413b45e89afe + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/79a26c21-7769-4377-9880-413b45e89afe - hmdb: HMDB03625 - kegg.compound: C00703 - metanetx.chemical: MNXM1562 @@ -24191,8 +24115,7 @@ - CHEBI:61449 - CHEBI:66936 - CHEBI:11589 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/29315147-9cf6-4642-ac32-ecd4eb00a7fe + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/29315147-9cf6-4642-ac32-ecd4eb00a7fe - kegg.compound: C04479 - metanetx.chemical: MNXM1693 - sabiork: '7342' @@ -24209,8 +24132,7 @@ - chebi: - CHEBI:61450 - CHEBI:61467 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/d982e35d-ed93-4304-b42e-a1933826f3c6 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/d982e35d-ed93-4304-b42e-a1933826f3c6 - kegg.compound: C12624 - metanetx.chemical: MNXM2040 - sbo: SBO:0000247 @@ -24267,8 +24189,7 @@ - CHEBI:58758 - CHEBI:40619 - CHEBI:34963 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/fee99d5c-735f-4808-89ec-dbadb58f766c + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/fee99d5c-735f-4808-89ec-dbadb58f766c - hmdb: HMDB04662 - kegg.compound: C14180 - metanetx.chemical: MNXM1051 @@ -24463,8 +24384,7 @@ - CHEBI:17120 - CHEBI:5702 - CHEBI:24569 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/e4df503e-0f40-4bad-8885-76774b301631 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/e4df503e-0f40-4bad-8885-76774b301631 - hmdb: - HMDB00535 - HMDB61883 @@ -24492,8 +24412,7 @@ - CHEBI:17120 - CHEBI:5702 - CHEBI:24569 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/e4df503e-0f40-4bad-8885-76774b301631 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/e4df503e-0f40-4bad-8885-76774b301631 - hmdb: - HMDB00535 - HMDB61883 @@ -24521,8 +24440,7 @@ - CHEBI:17120 - CHEBI:5702 - CHEBI:24569 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/e4df503e-0f40-4bad-8885-76774b301631 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/e4df503e-0f40-4bad-8885-76774b301631 - hmdb: - HMDB00535 - HMDB61883 @@ -25873,8 +25791,7 @@ - CHEBI:340 - CHEBI:17167 - CHEBI:18683 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/40a73f79-ca1a-42bb-a386-b7c5f7d72f1d + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/40a73f79-ca1a-42bb-a386-b7c5f7d72f1d - hmdb: - HMDB06949 - HMDB06458 @@ -26964,8 +26881,7 @@ - CHEBI:18167 - CHEBI:17306 - CHEBI:25144 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/943ae27f-7875-4bcd-948d-1551ec9aa1ca + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/943ae27f-7875-4bcd-948d-1551ec9aa1ca - kegg.compound: - C00897 - C00208 @@ -27004,8 +26920,7 @@ - CHEBI:18167 - CHEBI:17306 - CHEBI:25144 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/943ae27f-7875-4bcd-948d-1551ec9aa1ca + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/943ae27f-7875-4bcd-948d-1551ec9aa1ca - kegg.compound: - C00897 - C00208 @@ -27044,8 +26959,7 @@ - CHEBI:18167 - CHEBI:17306 - CHEBI:25144 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/943ae27f-7875-4bcd-948d-1551ec9aa1ca + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/943ae27f-7875-4bcd-948d-1551ec9aa1ca - kegg.compound: - C00897 - C00208 @@ -27211,8 +27125,7 @@ - CHEBI:25146 - CHEBI:43937 - CHEBI:27931 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/7d7cf31a-30a5-4368-8802-9269424379b6 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/7d7cf31a-30a5-4368-8802-9269424379b6 - hmdb: HMDB01262 - kegg.compound: C01835 - metanetx.chemical: MNXM468 @@ -27235,8 +27148,7 @@ - CHEBI:25146 - CHEBI:43937 - CHEBI:27931 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/7d7cf31a-30a5-4368-8802-9269424379b6 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/7d7cf31a-30a5-4368-8802-9269424379b6 - hmdb: HMDB01262 - kegg.compound: C01835 - metanetx.chemical: MNXM468 @@ -27259,8 +27171,7 @@ - CHEBI:25146 - CHEBI:43937 - CHEBI:27931 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/7d7cf31a-30a5-4368-8802-9269424379b6 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/7d7cf31a-30a5-4368-8802-9269424379b6 - hmdb: HMDB01262 - kegg.compound: C01835 - metanetx.chemical: MNXM468 @@ -27509,8 +27420,7 @@ - CHEBI:21057 - CHEBI:33930 - CHEBI:12999 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c5f931e8-e7f7-4b73-bed6-48662796fe18 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c5f931e8-e7f7-4b73-bed6-48662796fe18 - hmdb: HMDB00169 - kegg.compound: C00159 - metanetx.chemical: MNXM182 @@ -27540,8 +27450,7 @@ - CHEBI:21057 - CHEBI:33930 - CHEBI:12999 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c5f931e8-e7f7-4b73-bed6-48662796fe18 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c5f931e8-e7f7-4b73-bed6-48662796fe18 - hmdb: HMDB00169 - kegg.compound: C00159 - metanetx.chemical: MNXM182 @@ -27571,8 +27480,7 @@ - CHEBI:21057 - CHEBI:33930 - CHEBI:12999 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c5f931e8-e7f7-4b73-bed6-48662796fe18 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c5f931e8-e7f7-4b73-bed6-48662796fe18 - hmdb: HMDB00169 - kegg.compound: C00159 - metanetx.chemical: MNXM182 @@ -27855,8 +27763,7 @@ - CHEBI:57678 - CHEBI:11847 - CHEBI:20104 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/867afe4f-221e-465f-b082-bf34bbb99022 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/867afe4f-221e-465f-b082-bf34bbb99022 - hmdb: HMDB01368 - kegg.compound: C00957 - metanetx.chemical: MNXM1214 @@ -27957,8 +27864,7 @@ - CHEBI:16643 - CHEBI:13141 - CHEBI:43990 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/44a61812-39ff-48f9-bf09-8398e8723d5e + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/44a61812-39ff-48f9-bf09-8398e8723d5e - hmdb: - HMDB00696 - HMDB33951 @@ -28006,8 +27912,7 @@ - CHEBI:16643 - CHEBI:13141 - CHEBI:43990 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/44a61812-39ff-48f9-bf09-8398e8723d5e + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/44a61812-39ff-48f9-bf09-8398e8723d5e - hmdb: - HMDB00696 - HMDB33951 @@ -28055,8 +27960,7 @@ - CHEBI:16643 - CHEBI:13141 - CHEBI:43990 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/44a61812-39ff-48f9-bf09-8398e8723d5e + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/44a61812-39ff-48f9-bf09-8398e8723d5e - hmdb: - HMDB00696 - HMDB33951 @@ -29002,8 +28906,7 @@ - CHEBI:6813 - CHEBI:27376 - CHEBI:25224 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/08e4702f-d7fe-43da-9a21-5771459eab73 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/08e4702f-d7fe-43da-9a21-5771459eab73 - kegg.compound: C11145 - metanetx.chemical: MNXM1485 - sbo: SBO:0000247 @@ -29021,8 +28924,7 @@ - CHEBI:6813 - CHEBI:27376 - CHEBI:25224 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/08e4702f-d7fe-43da-9a21-5771459eab73 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/08e4702f-d7fe-43da-9a21-5771459eab73 - kegg.compound: C11145 - metanetx.chemical: MNXM1485 - sbo: SBO:0000247 @@ -29040,8 +28942,7 @@ - CHEBI:6813 - CHEBI:27376 - CHEBI:25224 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/08e4702f-d7fe-43da-9a21-5771459eab73 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/08e4702f-d7fe-43da-9a21-5771459eab73 - kegg.compound: C11145 - metanetx.chemical: MNXM1485 - sbo: SBO:0000247 @@ -29070,8 +28971,7 @@ - CHEBI:11643 - CHEBI:6875 - CHEBI:17158 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/87b7fac4-f224-43ab-81f4-b95330450174 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/87b7fac4-f224-43ab-81f4-b95330450174 - hmdb: HMDB01167 - kegg.compound: C00546 - metanetx.chemical: MNXM310 @@ -29332,8 +29232,7 @@ - CHEBI:7598 - CHEBI:17045 - CHEBI:44250 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/27f4cd6e-d42f-484e-8813-ef9e60aa5bf0 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/27f4cd6e-d42f-484e-8813-ef9e60aa5bf0 - hmdb: HMDB35807 - kegg.compound: C00887 - kegg.drug: D00102 @@ -29356,8 +29255,7 @@ - CHEBI:7598 - CHEBI:17045 - CHEBI:44250 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/27f4cd6e-d42f-484e-8813-ef9e60aa5bf0 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/27f4cd6e-d42f-484e-8813-ef9e60aa5bf0 - hmdb: HMDB35807 - kegg.compound: C00887 - kegg.drug: D00102 @@ -29380,8 +29278,7 @@ - CHEBI:7598 - CHEBI:17045 - CHEBI:44250 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/27f4cd6e-d42f-484e-8813-ef9e60aa5bf0 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/27f4cd6e-d42f-484e-8813-ef9e60aa5bf0 - hmdb: HMDB35807 - kegg.compound: C00887 - kegg.drug: D00102 @@ -29677,8 +29574,7 @@ - sbo: SBO:0000247 - !!omap - id: nadhx__S_c - - name: Adenosine - 5'-(3-{5-[(2S)-5-carbamoyl-2-hydroxy-3,4-dihydropyridin-1-yl]-5-deoxy-?-D-ribofuranosyl} + - name: Adenosine 5'-(3-{5-[(2S)-5-carbamoyl-2-hydroxy-3,4-dihydropyridin-1-yl]-5-deoxy-?-D-ribofuranosyl} dihydrogen diphosphate) - compartment: c - charge: -2 @@ -30188,8 +30084,7 @@ - CHEBI:7585 - CHEBI:44396 - CHEBI:25567 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/84af9b8c-5f58-4093-85cb-964ba8ed40b7 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/84af9b8c-5f58-4093-85cb-964ba8ed40b7 - hmdb: HMDB02786 - kegg.compound: C00088 - metanetx.chemical: MNXM107 @@ -30212,8 +30107,7 @@ - CHEBI:7585 - CHEBI:44396 - CHEBI:25567 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/84af9b8c-5f58-4093-85cb-964ba8ed40b7 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/84af9b8c-5f58-4093-85cb-964ba8ed40b7 - hmdb: HMDB02786 - kegg.compound: C00088 - metanetx.chemical: MNXM107 @@ -30236,8 +30130,7 @@ - CHEBI:7585 - CHEBI:44396 - CHEBI:25567 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/84af9b8c-5f58-4093-85cb-964ba8ed40b7 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/84af9b8c-5f58-4093-85cb-964ba8ed40b7 - hmdb: HMDB02786 - kegg.compound: C00088 - metanetx.chemical: MNXM107 @@ -30264,8 +30157,7 @@ - CHEBI:17632 - CHEBI:48107 - CHEBI:25545 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/706be27f-b4cf-4022-b2ef-04cec5197ca5 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/706be27f-b4cf-4022-b2ef-04cec5197ca5 - hmdb: - HMDB02878 - HMDB01853 @@ -30294,8 +30186,7 @@ - CHEBI:17632 - CHEBI:48107 - CHEBI:25545 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/706be27f-b4cf-4022-b2ef-04cec5197ca5 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/706be27f-b4cf-4022-b2ef-04cec5197ca5 - hmdb: - HMDB02878 - HMDB01853 @@ -30324,8 +30215,7 @@ - CHEBI:17632 - CHEBI:48107 - CHEBI:25545 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/706be27f-b4cf-4022-b2ef-04cec5197ca5 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/706be27f-b4cf-4022-b2ef-04cec5197ca5 - hmdb: - HMDB02878 - HMDB01853 @@ -30536,8 +30426,7 @@ - CHEBI:23833 - CHEBI:25366 - CHEBI:10745 - - envipath: - 5882df9c-dae1-4d80-a40e-db4724271456/compound/d5d12248-82d3-4cf3-b7d0-2e3d096768b4 + - envipath: 5882df9c-dae1-4d80-a40e-db4724271456/compound/d5d12248-82d3-4cf3-b7d0-2e3d096768b4 - hmdb: HMDB01377 - kegg.compound: C00007 - kegg.drug: D00003 @@ -30579,8 +30468,7 @@ - CHEBI:23833 - CHEBI:25366 - CHEBI:10745 - - envipath: - 5882df9c-dae1-4d80-a40e-db4724271456/compound/d5d12248-82d3-4cf3-b7d0-2e3d096768b4 + - envipath: 5882df9c-dae1-4d80-a40e-db4724271456/compound/d5d12248-82d3-4cf3-b7d0-2e3d096768b4 - hmdb: HMDB01377 - kegg.compound: C00007 - kegg.drug: D00003 @@ -30622,8 +30510,7 @@ - CHEBI:23833 - CHEBI:25366 - CHEBI:10745 - - envipath: - 5882df9c-dae1-4d80-a40e-db4724271456/compound/d5d12248-82d3-4cf3-b7d0-2e3d096768b4 + - envipath: 5882df9c-dae1-4d80-a40e-db4724271456/compound/d5d12248-82d3-4cf3-b7d0-2e3d096768b4 - hmdb: HMDB01377 - kegg.compound: C00007 - kegg.drug: D00003 @@ -30806,8 +30693,7 @@ - CHEBI:14681 - CHEBI:15533 - CHEBI:57386 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/803b8f43-e64d-427d-a22e-a38aca2708eb + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/803b8f43-e64d-427d-a22e-a38aca2708eb - hmdb: - HMDB06257 - HMDB01070 @@ -30846,8 +30732,7 @@ - CHEBI:45710 - CHEBI:25629 - CHEBI:28842 - - envipath: - 5882df9c-dae1-4d80-a40e-db4724271456/compound/c0fae385-4844-4700-ba7a-96b6726ed216 + - envipath: 5882df9c-dae1-4d80-a40e-db4724271456/compound/c0fae385-4844-4700-ba7a-96b6726ed216 - hmdb: HMDB00827 - kegg.compound: C01530 - kegg.drug: D00119 @@ -30875,8 +30760,7 @@ - CHEBI:45710 - CHEBI:25629 - CHEBI:28842 - - envipath: - 5882df9c-dae1-4d80-a40e-db4724271456/compound/c0fae385-4844-4700-ba7a-96b6726ed216 + - envipath: 5882df9c-dae1-4d80-a40e-db4724271456/compound/c0fae385-4844-4700-ba7a-96b6726ed216 - hmdb: HMDB00827 - kegg.compound: C01530 - kegg.drug: D00119 @@ -30904,8 +30788,7 @@ - CHEBI:45710 - CHEBI:25629 - CHEBI:28842 - - envipath: - 5882df9c-dae1-4d80-a40e-db4724271456/compound/c0fae385-4844-4700-ba7a-96b6726ed216 + - envipath: 5882df9c-dae1-4d80-a40e-db4724271456/compound/c0fae385-4844-4700-ba7a-96b6726ed216 - hmdb: HMDB00827 - kegg.compound: C01530 - kegg.drug: D00119 @@ -31551,8 +31434,7 @@ - CHEBI:57348 - CHEBI:11872 - CHEBI:1632 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/07216e0c-6bda-4477-b3ee-a2bda11a0800 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/07216e0c-6bda-4477-b3ee-a2bda11a0800 - hmdb: HMDB60378 - kegg.compound: C02232 - lipidmaps: LMFA07050237 @@ -31598,8 +31480,7 @@ - CHEBI:14708 - CHEBI:18058 - CHEBI:58363 - - envipath: - 5882df9c-dae1-4d80-a40e-db4724271456/compound/39b30a97-8fc7-4a71-be89-c591d56a8f6a + - envipath: 5882df9c-dae1-4d80-a40e-db4724271456/compound/39b30a97-8fc7-4a71-be89-c591d56a8f6a - kegg.compound: C01444 - metanetx.chemical: MNXM3329 - sabiork: '3029' @@ -32791,8 +32672,7 @@ - CHEBI:14780 - CHEBI:15537 - CHEBI:57390 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/dc20356c-1455-4c1c-8260-b86508a89a3d + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/dc20356c-1455-4c1c-8260-b86508a89a3d - hmdb: HMDB06503 - kegg.compound: C00582 - metanetx.chemical: MNXM502 @@ -33073,8 +32953,7 @@ - CHEBI:26007 - CHEBI:18005 - CHEBI:12821 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/1a2c1780-502b-43c6-8d45-759953ea5e07 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/1a2c1780-502b-43c6-8d45-759953ea5e07 - hmdb: - HMDB00205 - HMDB31629 @@ -33314,8 +33193,7 @@ - CHEBI:7898 - CHEBI:15525 - CHEBI:14732 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/683c12f9-18f4-4439-a718-0877aa11b9ae + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/683c12f9-18f4-4439-a718-0877aa11b9ae - hmdb: - HMDB01338 - HMDB59623 @@ -33598,8 +33476,7 @@ - CHEBI:26295 - CHEBI:8479 - CHEBI:15539 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/4e032169-05c6-49aa-9422-d081d81bc1a6 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/4e032169-05c6-49aa-9422-d081d81bc1a6 - hmdb: HMDB01275 - kegg.compound: C00100 - lipidmaps: LMFA07050364 @@ -34088,8 +33965,7 @@ - seed.compound: cpd19185 - !!omap - id: prfp_c - - name: - 1-(5-Phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide + - name: 1-(5-Phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide - compartment: c - charge: -4 - formula: C15H21N5O15P2 @@ -34110,8 +33986,7 @@ - seed.compound: cpd02979 - !!omap - id: prlp_c - - name: - 5-[(5-phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide + - name: 5-[(5-phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide - compartment: c - charge: -4 - formula: C15H21N5O15P2 @@ -34331,8 +34206,7 @@ - CHEBI:8488 - CHEBI:15513 - CHEBI:57367 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/04437fe9-7f67-491c-bfba-52e7b1b43ed6 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/04437fe9-7f67-491c-bfba-52e7b1b43ed6 - hmdb: - HMDB06507 - HMDB02307 @@ -34752,8 +34626,7 @@ - CHEBI:8669 - CHEBI:14978 - CHEBI:131533 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/a8e03eef-0f65-4f7e-aaaa-c85331fbebe6 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/a8e03eef-0f65-4f7e-aaaa-c85331fbebe6 - hmdb: - HMDB62696 - HMDB01431 @@ -34780,8 +34653,7 @@ - CHEBI:8669 - CHEBI:14978 - CHEBI:131533 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/a8e03eef-0f65-4f7e-aaaa-c85331fbebe6 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/a8e03eef-0f65-4f7e-aaaa-c85331fbebe6 - hmdb: - HMDB62696 - HMDB01431 @@ -34808,8 +34680,7 @@ - CHEBI:8669 - CHEBI:14978 - CHEBI:131533 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/a8e03eef-0f65-4f7e-aaaa-c85331fbebe6 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/a8e03eef-0f65-4f7e-aaaa-c85331fbebe6 - hmdb: - HMDB62696 - HMDB01431 @@ -34860,8 +34731,7 @@ - CHEBI:26423 - CHEBI:17310 - CHEBI:8667 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/049709c3-768e-468f-b435-40e990942002 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/049709c3-768e-468f-b435-40e990942002 - hmdb: HMDB01545 - kegg.compound: C00250 - metanetx.chemical: MNXM311 @@ -34885,8 +34755,7 @@ - CHEBI:26423 - CHEBI:17310 - CHEBI:8667 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/049709c3-768e-468f-b435-40e990942002 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/049709c3-768e-468f-b435-40e990942002 - hmdb: HMDB01545 - kegg.compound: C00250 - metanetx.chemical: MNXM311 @@ -34910,8 +34779,7 @@ - CHEBI:26423 - CHEBI:17310 - CHEBI:8667 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/049709c3-768e-468f-b435-40e990942002 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/049709c3-768e-468f-b435-40e990942002 - hmdb: HMDB01545 - kegg.compound: C00250 - metanetx.chemical: MNXM311 @@ -34933,8 +34801,7 @@ - CHEBI:26429 - CHEBI:16709 - CHEBI:8671 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/344a84bd-2fbd-4e3b-903e-556786d111e2 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/344a84bd-2fbd-4e3b-903e-556786d111e2 - hmdb: - HMDB02075 - HMDB00239 @@ -34959,8 +34826,7 @@ - CHEBI:26429 - CHEBI:16709 - CHEBI:8671 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/344a84bd-2fbd-4e3b-903e-556786d111e2 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/344a84bd-2fbd-4e3b-903e-556786d111e2 - hmdb: - HMDB02075 - HMDB00239 @@ -34985,8 +34851,7 @@ - CHEBI:26429 - CHEBI:16709 - CHEBI:8671 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/344a84bd-2fbd-4e3b-903e-556786d111e2 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/344a84bd-2fbd-4e3b-903e-556786d111e2 - hmdb: - HMDB02075 - HMDB00239 @@ -36065,8 +35930,7 @@ - CHEBI:15075 - CHEBI:9088 - CHEBI:33490 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/7ce756a8-39aa-4c50-aa82-5a7c7fe07bdc + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/7ce756a8-39aa-4c50-aa82-5a7c7fe07bdc - hmdb: HMDB62761 - kegg.compound: C05697 - metanetx.chemical: MNXM2282 @@ -36089,8 +35953,7 @@ - CHEBI:15075 - CHEBI:9088 - CHEBI:33490 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/7ce756a8-39aa-4c50-aa82-5a7c7fe07bdc + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/7ce756a8-39aa-4c50-aa82-5a7c7fe07bdc - hmdb: HMDB62761 - kegg.compound: C05697 - metanetx.chemical: MNXM2282 @@ -36113,8 +35976,7 @@ - CHEBI:15075 - CHEBI:9088 - CHEBI:33490 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/7ce756a8-39aa-4c50-aa82-5a7c7fe07bdc + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/7ce756a8-39aa-4c50-aa82-5a7c7fe07bdc - hmdb: HMDB62761 - kegg.compound: C05697 - metanetx.chemical: MNXM2282 @@ -36141,8 +36003,7 @@ - CHEBI:30485 - CHEBI:16503 - CHEBI:47675 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/1e71e9cf-365f-47bc-a252-f0e75f597818 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/1e71e9cf-365f-47bc-a252-f0e75f597818 - hmdb: HMDB11110 - kegg.compound: C01528 - metanetx.chemical: MNXM92652 @@ -36168,8 +36029,7 @@ - CHEBI:16144 - CHEBI:58618 - CHEBI:29269 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/2375fd0c-e578-4771-9d3f-030d6dc30c7c + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/2375fd0c-e578-4771-9d3f-030d6dc30c7c - hmdb: - HMDB06407 - HMDB03840 @@ -36284,8 +36144,7 @@ - CHEBI:45677 - CHEBI:6301 - CHEBI:9116 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/207ebcd7-f859-4b01-8a69-9b99fb380595 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/207ebcd7-f859-4b01-8a69-9b99fb380595 - hmdb: - HMDB00589 - HMDB00187 @@ -36340,8 +36199,7 @@ - CHEBI:45677 - CHEBI:6301 - CHEBI:9116 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/207ebcd7-f859-4b01-8a69-9b99fb380595 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/207ebcd7-f859-4b01-8a69-9b99fb380595 - hmdb: - HMDB00589 - HMDB00187 @@ -36396,8 +36254,7 @@ - CHEBI:45677 - CHEBI:6301 - CHEBI:9116 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/207ebcd7-f859-4b01-8a69-9b99fb380595 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/207ebcd7-f859-4b01-8a69-9b99fb380595 - hmdb: - HMDB00589 - HMDB00187 @@ -36642,8 +36499,7 @@ - CHEBI:29924 - CHEBI:9090 - CHEBI:15077 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/853ba2d0-3106-4c3e-9578-b095546ea194 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/853ba2d0-3106-4c3e-9578-b095546ea194 - hmdb: HMDB11119 - kegg.compound: C05684 - kegg.drug: D05814 @@ -36666,8 +36522,7 @@ - CHEBI:29924 - CHEBI:9090 - CHEBI:15077 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/853ba2d0-3106-4c3e-9578-b095546ea194 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/853ba2d0-3106-4c3e-9578-b095546ea194 - hmdb: HMDB11119 - kegg.compound: C05684 - kegg.drug: D05814 @@ -36690,8 +36545,7 @@ - CHEBI:29924 - CHEBI:9090 - CHEBI:15077 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/853ba2d0-3106-4c3e-9578-b095546ea194 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/853ba2d0-3106-4c3e-9578-b095546ea194 - hmdb: HMDB11119 - kegg.compound: C05684 - kegg.drug: D05814 @@ -36713,8 +36567,7 @@ - CHEBI:18422 - CHEBI:9351 - CHEBI:8992 - - envipath: - 4fd7f3e0-dd25-43ac-9453-dda3e52396e4/compound/739d918d-f0e0-4b19-900c-7abb204b45c0 + - envipath: 4fd7f3e0-dd25-43ac-9453-dda3e52396e4/compound/739d918d-f0e0-4b19-900c-7abb204b45c0 - hmdb: HMDB34834 - kegg.compound: C09306 - kegg.drug: D05961 @@ -36736,8 +36589,7 @@ - CHEBI:18422 - CHEBI:9351 - CHEBI:8992 - - envipath: - 4fd7f3e0-dd25-43ac-9453-dda3e52396e4/compound/739d918d-f0e0-4b19-900c-7abb204b45c0 + - envipath: 4fd7f3e0-dd25-43ac-9453-dda3e52396e4/compound/739d918d-f0e0-4b19-900c-7abb204b45c0 - hmdb: HMDB34834 - kegg.compound: C09306 - kegg.drug: D05961 @@ -36759,8 +36611,7 @@ - CHEBI:18422 - CHEBI:9351 - CHEBI:8992 - - envipath: - 4fd7f3e0-dd25-43ac-9453-dda3e52396e4/compound/739d918d-f0e0-4b19-900c-7abb204b45c0 + - envipath: 4fd7f3e0-dd25-43ac-9453-dda3e52396e4/compound/739d918d-f0e0-4b19-900c-7abb204b45c0 - hmdb: HMDB34834 - kegg.compound: C09306 - kegg.drug: D05961 @@ -36905,8 +36756,7 @@ - CHEBI:45687 - CHEBI:26836 - CHEBI:45696 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/cf4fcd19-f2cb-4d92-aa67-323762e3b269 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/cf4fcd19-f2cb-4d92-aa67-323762e3b269 - hmdb: HMDB01448 - kegg.compound: C00059 - kegg.drug: D05963 @@ -36942,8 +36792,7 @@ - CHEBI:45687 - CHEBI:26836 - CHEBI:45696 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/cf4fcd19-f2cb-4d92-aa67-323762e3b269 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/cf4fcd19-f2cb-4d92-aa67-323762e3b269 - hmdb: HMDB01448 - kegg.compound: C00059 - kegg.drug: D05963 @@ -36979,8 +36828,7 @@ - CHEBI:45687 - CHEBI:26836 - CHEBI:45696 - - envipath: - 650babc9-9d68-4b73-9332-11972ca26f7b/compound/cf4fcd19-f2cb-4d92-aa67-323762e3b269 + - envipath: 650babc9-9d68-4b73-9332-11972ca26f7b/compound/cf4fcd19-f2cb-4d92-aa67-323762e3b269 - hmdb: HMDB01448 - kegg.compound: C00059 - kegg.drug: D05963 @@ -37349,8 +37197,7 @@ - CHEBI:9310 - CHEBI:45541 - CHEBI:26811 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/359075fb-98d9-458d-ba82-db4020e753f3 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/359075fb-98d9-458d-ba82-db4020e753f3 - hmdb: HMDB01022 - kegg.compound: C00091 - lipidmaps: LMFA07050370 @@ -37996,8 +37843,7 @@ - CHEBI:9550 - CHEBI:26954 - CHEBI:15234 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/e06445a5-0756-47c6-b6f7-64c74b192ecc + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/e06445a5-0756-47c6-b6f7-64c74b192ecc - hmdb: HMDB01453 - kegg.compound: C01755 - metanetx.chemical: MNXM762 @@ -38023,8 +37869,7 @@ - CHEBI:9550 - CHEBI:26954 - CHEBI:15234 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/e06445a5-0756-47c6-b6f7-64c74b192ecc + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/e06445a5-0756-47c6-b6f7-64c74b192ecc - hmdb: HMDB01453 - kegg.compound: C01755 - metanetx.chemical: MNXM762 @@ -38050,8 +37895,7 @@ - CHEBI:9550 - CHEBI:26954 - CHEBI:15234 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/e06445a5-0756-47c6-b6f7-64c74b192ecc + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/e06445a5-0756-47c6-b6f7-64c74b192ecc - hmdb: HMDB01453 - kegg.compound: C01755 - metanetx.chemical: MNXM762 @@ -38262,8 +38106,7 @@ - annotation: !!omap - bigg.metabolite: thm - chebi: CHEBI:33283 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/d00080d5-971d-4e5f-973a-226a589d76df + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/d00080d5-971d-4e5f-973a-226a589d76df - kegg.drug: D08580 - metanetx.chemical: MNXM161565 - sabiork: '2032' @@ -38278,8 +38121,7 @@ - annotation: !!omap - bigg.metabolite: thm - chebi: CHEBI:33283 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/d00080d5-971d-4e5f-973a-226a589d76df + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/d00080d5-971d-4e5f-973a-226a589d76df - kegg.drug: D08580 - metanetx.chemical: MNXM161565 - sabiork: '2032' @@ -38294,8 +38136,7 @@ - annotation: !!omap - bigg.metabolite: thm - chebi: CHEBI:33283 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/d00080d5-971d-4e5f-973a-226a589d76df + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/d00080d5-971d-4e5f-973a-226a589d76df - kegg.drug: D08580 - metanetx.chemical: MNXM161565 - sabiork: '2032' @@ -38409,8 +38250,7 @@ - CHEBI:45983 - CHEBI:32832 - CHEBI:26986 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/b570a573-71c2-4661-a517-6ac1b121dc59 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/b570a573-71c2-4661-a517-6ac1b121dc59 - hmdb: HMDB00167 - kegg.compound: C00188 - kegg.drug: D00041 @@ -38447,8 +38287,7 @@ - CHEBI:45983 - CHEBI:32832 - CHEBI:26986 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/b570a573-71c2-4661-a517-6ac1b121dc59 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/b570a573-71c2-4661-a517-6ac1b121dc59 - hmdb: HMDB00167 - kegg.compound: C00188 - kegg.drug: D00041 @@ -38485,8 +38324,7 @@ - CHEBI:45983 - CHEBI:32832 - CHEBI:26986 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/b570a573-71c2-4661-a517-6ac1b121dc59 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/b570a573-71c2-4661-a517-6ac1b121dc59 - hmdb: HMDB00167 - kegg.compound: C00188 - kegg.drug: D00041 @@ -38702,8 +38540,7 @@ - CHEBI:58389 - CHEBI:27127 - CHEBI:27125 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/3311ee4e-2800-486b-9556-983f5d367c23 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/3311ee4e-2800-486b-9556-983f5d367c23 - hmdb: HMDB00906 - kegg.compound: C00565 - metanetx.chemical: MNXM352 @@ -38727,8 +38564,7 @@ - CHEBI:58389 - CHEBI:27127 - CHEBI:27125 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/3311ee4e-2800-486b-9556-983f5d367c23 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/3311ee4e-2800-486b-9556-983f5d367c23 - hmdb: HMDB00906 - kegg.compound: C00565 - metanetx.chemical: MNXM352 @@ -38752,8 +38588,7 @@ - CHEBI:58389 - CHEBI:27127 - CHEBI:27125 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/3311ee4e-2800-486b-9556-983f5d367c23 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/3311ee4e-2800-486b-9556-983f5d367c23 - hmdb: HMDB00906 - kegg.compound: C00565 - metanetx.chemical: MNXM352 @@ -38776,8 +38611,7 @@ - CHEBI:27126 - CHEBI:9733 - CHEBI:15263 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c203aa4e-eb3d-491f-80bc-2b014da6482f + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c203aa4e-eb3d-491f-80bc-2b014da6482f - hmdb: HMDB00925 - kegg.compound: C01104 - metanetx.chemical: MNXM437 @@ -38800,8 +38634,7 @@ - CHEBI:27126 - CHEBI:9733 - CHEBI:15263 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c203aa4e-eb3d-491f-80bc-2b014da6482f + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c203aa4e-eb3d-491f-80bc-2b014da6482f - hmdb: HMDB00925 - kegg.compound: C01104 - metanetx.chemical: MNXM437 @@ -38824,8 +38657,7 @@ - CHEBI:27126 - CHEBI:9733 - CHEBI:15263 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c203aa4e-eb3d-491f-80bc-2b014da6482f + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c203aa4e-eb3d-491f-80bc-2b014da6482f - hmdb: HMDB00925 - kegg.compound: C01104 - metanetx.chemical: MNXM437 @@ -39236,8 +39068,7 @@ - CHEBI:45922 - CHEBI:5587 - CHEBI:33542 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/32b1f2ad-32ba-4271-9c86-f4bb1c35e35d + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/32b1f2ad-32ba-4271-9c86-f4bb1c35e35d - hmdb: - HMDB00257 - HMDB60293 @@ -39270,8 +39101,7 @@ - CHEBI:45922 - CHEBI:5587 - CHEBI:33542 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/32b1f2ad-32ba-4271-9c86-f4bb1c35e35d + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/32b1f2ad-32ba-4271-9c86-f4bb1c35e35d - hmdb: - HMDB00257 - HMDB60293 @@ -39304,8 +39134,7 @@ - CHEBI:45922 - CHEBI:5587 - CHEBI:33542 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/32b1f2ad-32ba-4271-9c86-f4bb1c35e35d + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/32b1f2ad-32ba-4271-9c86-f4bb1c35e35d - hmdb: - HMDB00257 - HMDB60293 @@ -39580,8 +39409,7 @@ - CHEBI:17895 - CHEBI:18186 - CHEBI:32785 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/974bd9b7-53fb-48cd-aaf3-6bd3196c0365 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/974bd9b7-53fb-48cd-aaf3-6bd3196c0365 - hmdb: - HMDB00647 - HMDB00158 @@ -39629,8 +39457,7 @@ - CHEBI:17895 - CHEBI:18186 - CHEBI:32785 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/974bd9b7-53fb-48cd-aaf3-6bd3196c0365 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/974bd9b7-53fb-48cd-aaf3-6bd3196c0365 - hmdb: - HMDB00647 - HMDB00158 @@ -39678,8 +39505,7 @@ - CHEBI:17895 - CHEBI:18186 - CHEBI:32785 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/974bd9b7-53fb-48cd-aaf3-6bd3196c0365 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/974bd9b7-53fb-48cd-aaf3-6bd3196c0365 - hmdb: - HMDB00647 - HMDB00158 @@ -39836,8 +39662,7 @@ - seed.compound: cpd15576 - !!omap - id: uaagmda_c - - name: - Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-ala-D-glu-meso-2,6-diaminopimeloyl-D-ala-D-ala + - name: Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-ala-D-glu-meso-2,6-diaminopimeloyl-D-ala-D-ala - compartment: c - charge: -4 - formula: C95H152N8O28P2 @@ -40026,8 +39851,7 @@ - seed.compound: cpd03732 - !!omap - id: uagmda_c - - name: - Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine + - name: Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine - compartment: c - charge: -4 - formula: C87H139N7O23P2 @@ -40689,8 +40513,7 @@ - sbo: SBO:0000247 - !!omap - id: ugmda_c - - name: - UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine + - name: UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine - compartment: c - charge: -4 - formula: C41H61N9O28P2 @@ -40712,8 +40535,7 @@ - cpd02968 - !!omap - id: um4p_c - - name: - UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate-D-alanine + - name: UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate-D-alanine - compartment: c - charge: -4 - formula: C38H56N8O27P2 @@ -40851,8 +40673,7 @@ - seed.compound: cpd15581 - !!omap - id: unagamuf_c - - name: Undecaprenyl-diphospho - N-acetylglucosamine-N-acetylmannosaminuronate-N-acetamido-4,6-dideoxy-D-galactose + - name: Undecaprenyl-diphospho N-acetylglucosamine-N-acetylmannosaminuronate-N-acetamido-4,6-dideoxy-D-galactose - compartment: c - charge: -3 - formula: C79H126N3O22P2 @@ -40864,8 +40685,7 @@ - seed.compound: cpd15582 - !!omap - id: unagamuf_p - - name: Undecaprenyl-diphospho - N-acetylglucosamine-N-acetylmannosaminuronate-N-acetamido-4,6-dideoxy-D-galactose + - name: Undecaprenyl-diphospho N-acetylglucosamine-N-acetylmannosaminuronate-N-acetamido-4,6-dideoxy-D-galactose - compartment: p - charge: -3 - formula: C79H126N3O22P2 @@ -41524,8 +41344,7 @@ - CHEBI:48517 - CHEBI:17712 - CHEBI:27317 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/3cf4dbf8-ae84-49e6-b294-b5138cb94f75 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/3cf4dbf8-ae84-49e6-b294-b5138cb94f75 - hmdb: HMDB00292 - kegg.compound: C00385 - metanetx.chemical: MNXM174 @@ -41549,8 +41368,7 @@ - CHEBI:48517 - CHEBI:17712 - CHEBI:27317 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/3cf4dbf8-ae84-49e6-b294-b5138cb94f75 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/3cf4dbf8-ae84-49e6-b294-b5138cb94f75 - hmdb: HMDB00292 - kegg.compound: C00385 - metanetx.chemical: MNXM174 @@ -41574,8 +41392,7 @@ - CHEBI:48517 - CHEBI:17712 - CHEBI:27317 - - envipath: - 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/3cf4dbf8-ae84-49e6-b294-b5138cb94f75 + - envipath: 32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/3cf4dbf8-ae84-49e6-b294-b5138cb94f75 - hmdb: HMDB00292 - kegg.compound: C00385 - metanetx.chemical: MNXM174 @@ -43782,7 +43599,7 @@ - pi_p: 1.0 - lower_bound: 0.0 - upper_bound: 1000.0 - - gene_reaction_rule: b4213 or b0383 or b0383 + - gene_reaction_rule: b0383 or b4213 or b2744 - subsystem: Nucleotide Salvage Pathway - annotation: !!omap - bigg.reaction: 3NTD4pp @@ -51116,8 +50933,8 @@ - pi_c: 1.0 - lower_bound: 0.0 - upper_bound: 1000.0 - - gene_reaction_rule: (b2308 and b2306 and b2310 and b2307) or (b0864 and b0860 - and b0863 and b0862 and b0861) + - gene_reaction_rule: (b2310 and b2308 and b2306 and b2307) or (b0862 and b0860 + and b0864 and b0861) or (b0862 and b0864 and b0863 and b0861) - subsystem: Transport, Inner Membrane - annotation: !!omap - bigg.reaction: ARGabcpp @@ -52593,7 +52410,7 @@ - ppi_c: 1.0 - lower_bound: 0.0 - upper_bound: 1000.0 - - gene_reaction_rule: b3857 or (b3857 and b3856) + - gene_reaction_rule: b3857 - subsystem: Cofactor and Prosthetic Group Biosynthesis - annotation: !!omap - bigg.reaction: BMOGDS1 @@ -52610,7 +52427,7 @@ - ppi_c: 1.0 - lower_bound: 0.0 - upper_bound: 1000.0 - - gene_reaction_rule: (b3857 and b3856) or b3857 + - gene_reaction_rule: b3857 - subsystem: Cofactor and Prosthetic Group Biosynthesis - annotation: !!omap - bigg.reaction: BMOGDS2 @@ -52862,7 +52679,7 @@ - ppi_c: 1.0 - lower_bound: 0.0 - upper_bound: 1000.0 - - gene_reaction_rule: (b3857 and b3856) or b3857 + - gene_reaction_rule: b3857 - subsystem: Cofactor and Prosthetic Group Biosynthesis - annotation: !!omap - bigg.reaction: BWCOGDS1 @@ -52879,7 +52696,7 @@ - ppi_c: 1.0 - lower_bound: 0.0 - upper_bound: 1000.0 - - gene_reaction_rule: (b3857 and b3856) or b3857 + - gene_reaction_rule: b3857 - subsystem: Cofactor and Prosthetic Group Biosynthesis - annotation: !!omap - bigg.reaction: BWCOGDS2 @@ -60822,7 +60639,7 @@ - unagamuf_p: -2.0 - lower_bound: 0.0 - upper_bound: 1000.0 - - gene_reaction_rule: b3785 and b3793 + - gene_reaction_rule: b3785 and b3793 and b3792 - subsystem: Lipopolysaccharide Biosynthesis / Recycling - annotation: !!omap - bigg.reaction: ECAP1pp @@ -60839,7 +60656,7 @@ - unagamuf_p: -1.0 - lower_bound: 0.0 - upper_bound: 1000.0 - - gene_reaction_rule: b3785 and b3793 + - gene_reaction_rule: b3785 and b3793 and b3792 - subsystem: Lipopolysaccharide Biosynthesis / Recycling - annotation: !!omap - bigg.reaction: ECAP2pp @@ -60856,7 +60673,7 @@ - unagamuf_p: -1.0 - lower_bound: 0.0 - upper_bound: 1000.0 - - gene_reaction_rule: b3785 and b3793 + - gene_reaction_rule: b3785 and b3793 and b3792 - subsystem: Lipopolysaccharide Biosynthesis / Recycling - annotation: !!omap - bigg.reaction: ECAP3pp @@ -69170,7 +68987,7 @@ - nadph_c: -1.0 - lower_bound: 0.0 - upper_bound: 1000.0 - - gene_reaction_rule: b2764 and b2763 + - gene_reaction_rule: b2764 - subsystem: Cofactor and Prosthetic Group Biosynthesis - annotation: !!omap - bigg.reaction: FADRx2 @@ -70850,7 +70667,7 @@ - nadph_c: -1.0 - lower_bound: 0.0 - upper_bound: 1000.0 - - gene_reaction_rule: b3844 or b0937 or (b2764 and b2763) + - gene_reaction_rule: b0937 or b3844 or b2764 - subsystem: Cofactor and Prosthetic Group Biosynthesis - annotation: !!omap - bigg.reaction: FMNRx2 @@ -73469,7 +73286,7 @@ - mlthf_c: 1.0 - ser__L_c: -1.0 - thf_c: -1.0 - - lower_bound: -1000.0 + - lower_bound: 0 - upper_bound: 1000.0 - gene_reaction_rule: b2551 - subsystem: Glycine and Serine Metabolism @@ -74272,7 +74089,7 @@ - nh4_c: 1.0 - lower_bound: -1000.0 - upper_bound: 1000.0 - - gene_reaction_rule: b1761 or (b3213 and b3212) + - gene_reaction_rule: b1761 - subsystem: Glutamate Metabolism - annotation: !!omap - bigg.reaction: GLUDy @@ -75026,46 +74843,6 @@ - sabiork: '1322' - sbo: SBO:0000176 - seed.reaction: rxn00762 - - !!omap - - id: GLYCK - - name: Glycerate kinase - - metabolites: !!omap - - 3pg_c: 1.0 - - adp_c: 1.0 - - atp_c: -1.0 - - glyc__R_c: -1.0 - - h_c: 1.0 - - lower_bound: 0.0 - - upper_bound: 1000.0 - - gene_reaction_rule: b0514 - - subsystem: Glyoxylate Metabolism - - annotation: !!omap - - bigg.reaction: GLYCK - - biocyc: META:GLY3KIN-RXN - - ec-code: 2.7.1.31 - - kegg.reaction: R01514 - - metanetx.reaction: MNXR100328 - - reactome.reaction: - - R-MMU-6799495 - - R-TGU-6799495 - - R-DME-6799495 - - R-GGA-6799495 - - R-RNO-6799495 - - R-XTR-6799495 - - R-DRE-6799495 - - R-HSA-6799495 - - R-SSC-6799495 - - R-BTA-6799495 - - R-CEL-6799495 - - R-CFA-6799495 - - rhea: - - '23518' - - '23519' - - '23516' - - '23517' - - sabiork: '428' - - sbo: SBO:0000176 - - seed.reaction: rxn01102 - !!omap - id: GLYCK2 - name: Glycerate kinase @@ -75077,7 +74854,7 @@ - h_c: 1.0 - lower_bound: 0.0 - upper_bound: 1000.0 - - gene_reaction_rule: b3124 + - gene_reaction_rule: b3124 or b0514 - subsystem: Glycine and Serine Metabolism - annotation: !!omap - bigg.reaction: GLYCK2 @@ -79152,7 +78929,7 @@ - hom__L_c: -1.0 - nadp_c: -1.0 - nadph_c: 1.0 - - lower_bound: -1000.0 + - lower_bound: 0.0 - upper_bound: 1000.0 - gene_reaction_rule: b3940 or b0002 - subsystem: Threonine and Lysine Metabolism @@ -86440,7 +86217,7 @@ - ppi_c: 1.0 - lower_bound: 0.0 - upper_bound: 1000.0 - - gene_reaction_rule: (b3857 and b3856) or b3857 + - gene_reaction_rule: b3857 - subsystem: Cofactor and Prosthetic Group Biosynthesis - annotation: !!omap - bigg.reaction: MOGDS @@ -95951,8 +95728,7 @@ - sbo: SBO:0000176 - !!omap - id: PRMICI - - name: - 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino)imidazole-4-carboxamide + - name: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino)imidazole-4-carboxamide isomerase - metabolites: !!omap - prfp_c: -1.0 @@ -100388,7 +100164,7 @@ - metabolites: !!omap - succ_c: 1.0 - succ_p: -1.0 - - lower_bound: -1000.0 + - lower_bound: 0.0 - upper_bound: 1000.0 - gene_reaction_rule: b1206 - subsystem: Transport, Inner Membrane @@ -101246,8 +101022,8 @@ - id: THD2pp - name: NAD(P) transhydrogenase (periplasm) - metabolites: !!omap - - h_c: 2.0 - - h_p: -2.0 + - h_c: 1.0 + - h_p: -1.0 - nad_c: 1.0 - nadh_c: -1.0 - nadp_c: -1.0 @@ -101749,7 +101525,7 @@ - ppi_c: 1.0 - lower_bound: 0.0 - upper_bound: 1000.0 - - gene_reaction_rule: b0423 and b3990 and b2530 and b3992 and b4407 + - gene_reaction_rule: b3992 and b3990 and b0423 and b2530 and b4407 and b3991 - subsystem: Cofactor and Prosthetic Group Biosynthesis - annotation: !!omap - bigg.reaction: THZPSN3 @@ -103261,8 +103037,7 @@ - seed.reaction: rxn00293 - !!omap - id: UAGPT3 - - name: - UDP-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol + - name: UDP-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol N-acetylglucosamine transferase - metabolites: !!omap - h_c: 1.0 @@ -103879,8 +103654,7 @@ - seed.reaction: rxn00327 - !!omap - id: UGMDDS - - name: - UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine + - name: UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine synthetase - metabolites: !!omap - adp_c: 1.0 @@ -103985,8 +103759,7 @@ - sbo: SBO:0000176 - !!omap - id: UM4PCP - - name: - UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate-D-alanine + - name: UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate-D-alanine L,D-carboxypeptidase - metabolites: !!omap - ala__D_c: 1.0 @@ -105127,7 +104900,7 @@ - biocyc: META:XYLISOM-RXN - ec-code: 5.3.1.5 - kegg.reaction: R01432 - - metanetx.reaction: MNXR105253 + - metanetx.reaction: MNXR146751 - rhea: - '22818' - '22816' @@ -105135,30 +104908,6 @@ - '22817' - sbo: SBO:0000176 - seed.reaction: rxn01044 - - !!omap - - id: XYLI2 - - name: Xylose isomerase - - metabolites: !!omap - - fru_c: 1.0 - - glc__D_c: -1.0 - - lower_bound: -1000.0 - - upper_bound: 1000.0 - - gene_reaction_rule: b3565 - - subsystem: Alternate Carbon Metabolism - - annotation: !!omap - - bigg.reaction: XYLI2 - - biocyc: META:GLUCISOM-RXN - - ec-code: 5.3.1.5 - - kegg.reaction: R00307 - - metanetx.reaction: MNXR105254 - - rhea: - - '28546' - - '28547' - - '28549' - - '28548' - - sabiork: '800' - - sbo: SBO:0000176 - - seed.reaction: rxn00223 - !!omap - id: XYLK - name: Xylulokinase