From f4fb931f4333d2b300f763f3d42bf2359fcfffb7 Mon Sep 17 00:00:00 2001 From: KennetLindquist Date: Thu, 30 Oct 2025 14:42:24 +0100 Subject: [PATCH 1/6] feat: reverse directionality of HSDy feat: reverse directionality of HSDy, fixing the model non-growth outlined in issue #34. --- model/Ecoli-GEM.yml | 579 +++++++++++++++++++++++++++++--------------- 1 file changed, 383 insertions(+), 196 deletions(-) diff --git a/model/Ecoli-GEM.yml b/model/Ecoli-GEM.yml index 76cae28..fa8683e 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: "2025-06-11" + date: "2025-10-30" version: "" github: "https://github.com/SysBioChalmers/Ecoli-GEM" - metabolites: @@ -319,7 +319,8 @@ - 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' @@ -1946,7 +1947,8 @@ - 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 @@ -2852,7 +2854,8 @@ - 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 @@ -3123,7 +3126,8 @@ - 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 @@ -3520,7 +3524,8 @@ - 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 @@ -3547,7 +3552,8 @@ - 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 @@ -3944,7 +3950,8 @@ - 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 @@ -3968,7 +3975,8 @@ - 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 @@ -3992,7 +4000,8 @@ - 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 @@ -4013,7 +4022,8 @@ - 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 @@ -4130,7 +4140,8 @@ - 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 @@ -4517,7 +4528,8 @@ - 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 @@ -4617,7 +4629,8 @@ - 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 @@ -4690,7 +4703,8 @@ - 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 @@ -4723,7 +4737,8 @@ - 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 @@ -4756,7 +4771,8 @@ - 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 @@ -4813,7 +4829,8 @@ - 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 @@ -4884,7 +4901,8 @@ - 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' @@ -4937,7 +4955,8 @@ - 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 @@ -6150,7 +6169,8 @@ - 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 @@ -6178,7 +6198,8 @@ - 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' @@ -6201,7 +6222,8 @@ - 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 @@ -6232,7 +6254,8 @@ - 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 @@ -6592,7 +6615,8 @@ - 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 @@ -6613,7 +6637,8 @@ - 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: @@ -6643,7 +6668,8 @@ - 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 @@ -7349,7 +7375,8 @@ - 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 @@ -8296,7 +8323,8 @@ - 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 @@ -8324,7 +8352,8 @@ - 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 @@ -8352,7 +8381,8 @@ - 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 @@ -9243,7 +9273,8 @@ - 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 @@ -9400,7 +9431,8 @@ - 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 @@ -10078,7 +10110,8 @@ - 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 @@ -10108,7 +10141,8 @@ - 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 @@ -10138,7 +10172,8 @@ - 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 @@ -10167,7 +10202,8 @@ - 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 @@ -10203,7 +10239,8 @@ - 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 @@ -10248,7 +10285,8 @@ - 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 @@ -10293,7 +10331,8 @@ - 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 @@ -10433,7 +10472,8 @@ - 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 @@ -10542,7 +10582,8 @@ - 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 @@ -10565,7 +10606,8 @@ - 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 @@ -11308,7 +11350,8 @@ - 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 @@ -11378,7 +11421,8 @@ - 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 @@ -12471,7 +12515,8 @@ - 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 @@ -13419,7 +13464,8 @@ - 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 @@ -13442,7 +13488,8 @@ - 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 @@ -13465,7 +13512,8 @@ - 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 @@ -14545,7 +14593,8 @@ - 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: @@ -14688,7 +14737,8 @@ - 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' @@ -14806,7 +14856,8 @@ - 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 @@ -14829,7 +14880,8 @@ - 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 @@ -14852,7 +14904,8 @@ - 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 @@ -14911,7 +14964,8 @@ - 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 @@ -15093,7 +15147,8 @@ - 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' @@ -15502,7 +15557,8 @@ - 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 @@ -15525,7 +15581,8 @@ - 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 @@ -15548,7 +15605,8 @@ - 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 @@ -15569,7 +15627,8 @@ - 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 @@ -15590,7 +15649,8 @@ - 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 @@ -15611,7 +15671,8 @@ - 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 @@ -15663,7 +15724,8 @@ - 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 @@ -15695,7 +15757,8 @@ - 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 @@ -18590,7 +18653,8 @@ - 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 @@ -18625,7 +18689,8 @@ - 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 @@ -18660,7 +18725,8 @@ - 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 @@ -20483,7 +20549,8 @@ - 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 @@ -22731,7 +22798,8 @@ - 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 @@ -22755,7 +22823,8 @@ - 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 @@ -22779,7 +22848,8 @@ - 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 @@ -23576,7 +23646,8 @@ - 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 @@ -23619,7 +23690,8 @@ - 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 @@ -23662,7 +23734,8 @@ - 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 @@ -23829,7 +23902,8 @@ - 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 @@ -23851,7 +23925,8 @@ - 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 @@ -23873,7 +23948,8 @@ - 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 @@ -24115,7 +24191,8 @@ - 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' @@ -24132,7 +24209,8 @@ - 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 @@ -24189,7 +24267,8 @@ - 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 @@ -24384,7 +24463,8 @@ - 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 @@ -24412,7 +24492,8 @@ - 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 @@ -24440,7 +24521,8 @@ - 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 @@ -25791,7 +25873,8 @@ - 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 @@ -26881,7 +26964,8 @@ - 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 @@ -26920,7 +27004,8 @@ - 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 @@ -26959,7 +27044,8 @@ - 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 @@ -27125,7 +27211,8 @@ - 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 @@ -27148,7 +27235,8 @@ - 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 @@ -27171,7 +27259,8 @@ - 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 @@ -27420,7 +27509,8 @@ - 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 @@ -27450,7 +27540,8 @@ - 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 @@ -27480,7 +27571,8 @@ - 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 @@ -27763,7 +27855,8 @@ - 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 @@ -27864,7 +27957,8 @@ - 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 @@ -27912,7 +28006,8 @@ - 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 @@ -27960,7 +28055,8 @@ - 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 @@ -28906,7 +29002,8 @@ - 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 @@ -28924,7 +29021,8 @@ - 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 @@ -28942,7 +29040,8 @@ - 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 @@ -28971,7 +29070,8 @@ - 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 @@ -29232,7 +29332,8 @@ - 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 @@ -29255,7 +29356,8 @@ - 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 @@ -29278,7 +29380,8 @@ - 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 @@ -29574,7 +29677,8 @@ - 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 @@ -30084,7 +30188,8 @@ - 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 @@ -30107,7 +30212,8 @@ - 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 @@ -30130,7 +30236,8 @@ - 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 @@ -30157,7 +30264,8 @@ - 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 @@ -30186,7 +30294,8 @@ - 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 @@ -30215,7 +30324,8 @@ - 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 @@ -30426,7 +30536,8 @@ - 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 @@ -30468,7 +30579,8 @@ - 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 @@ -30510,7 +30622,8 @@ - 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 @@ -30693,7 +30806,8 @@ - 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 @@ -30732,7 +30846,8 @@ - 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 @@ -30760,7 +30875,8 @@ - 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 @@ -30788,7 +30904,8 @@ - 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 @@ -31434,7 +31551,8 @@ - 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 @@ -31480,7 +31598,8 @@ - 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' @@ -32672,7 +32791,8 @@ - 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 @@ -32953,7 +33073,8 @@ - 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 @@ -33193,7 +33314,8 @@ - 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 @@ -33476,7 +33598,8 @@ - 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 @@ -33965,7 +34088,8 @@ - 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 @@ -33986,7 +34110,8 @@ - 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 @@ -34206,7 +34331,8 @@ - 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 @@ -34626,7 +34752,8 @@ - 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 @@ -34653,7 +34780,8 @@ - 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 @@ -34680,7 +34808,8 @@ - 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 @@ -34731,7 +34860,8 @@ - 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 @@ -34755,7 +34885,8 @@ - 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 @@ -34779,7 +34910,8 @@ - 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 @@ -34801,7 +34933,8 @@ - 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 @@ -34826,7 +34959,8 @@ - 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 @@ -34851,7 +34985,8 @@ - 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 @@ -35930,7 +36065,8 @@ - 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 @@ -35953,7 +36089,8 @@ - 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 @@ -35976,7 +36113,8 @@ - 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 @@ -36003,7 +36141,8 @@ - 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 @@ -36029,7 +36168,8 @@ - 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 @@ -36144,7 +36284,8 @@ - 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 @@ -36199,7 +36340,8 @@ - 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 @@ -36254,7 +36396,8 @@ - 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 @@ -36499,7 +36642,8 @@ - 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 @@ -36522,7 +36666,8 @@ - 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 @@ -36545,7 +36690,8 @@ - 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 @@ -36567,7 +36713,8 @@ - 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 @@ -36589,7 +36736,8 @@ - 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 @@ -36611,7 +36759,8 @@ - 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 @@ -36756,7 +36905,8 @@ - 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 @@ -36792,7 +36942,8 @@ - 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 @@ -36828,7 +36979,8 @@ - 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 @@ -37197,7 +37349,8 @@ - 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 @@ -37843,7 +37996,8 @@ - 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 @@ -37869,7 +38023,8 @@ - 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 @@ -37895,7 +38050,8 @@ - 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 @@ -38106,7 +38262,8 @@ - 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' @@ -38121,7 +38278,8 @@ - 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' @@ -38136,7 +38294,8 @@ - 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' @@ -38250,7 +38409,8 @@ - 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 @@ -38287,7 +38447,8 @@ - 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 @@ -38324,7 +38485,8 @@ - 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 @@ -38540,7 +38702,8 @@ - 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 @@ -38564,7 +38727,8 @@ - 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 @@ -38588,7 +38752,8 @@ - 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 @@ -38611,7 +38776,8 @@ - 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 @@ -38634,7 +38800,8 @@ - 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 @@ -38657,7 +38824,8 @@ - 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 @@ -39068,7 +39236,8 @@ - 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 @@ -39101,7 +39270,8 @@ - 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 @@ -39134,7 +39304,8 @@ - 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 @@ -39409,7 +39580,8 @@ - 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 @@ -39457,7 +39629,8 @@ - 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 @@ -39505,7 +39678,8 @@ - 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 @@ -39662,7 +39836,8 @@ - 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 @@ -39851,7 +40026,8 @@ - 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 @@ -40513,7 +40689,8 @@ - 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 @@ -40535,7 +40712,8 @@ - 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 @@ -40673,7 +40851,8 @@ - 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 @@ -40685,7 +40864,8 @@ - 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 @@ -41344,7 +41524,8 @@ - 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 @@ -41368,7 +41549,8 @@ - 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 @@ -41392,7 +41574,8 @@ - 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 @@ -73286,7 +73469,7 @@ - mlthf_c: 1.0 - ser__L_c: -1.0 - thf_c: -1.0 - - lower_bound: 0 + - lower_bound: 0.0 - upper_bound: 1000.0 - gene_reaction_rule: b2551 - subsystem: Glycine and Serine Metabolism @@ -78924,13 +79107,13 @@ - id: HSDy - name: Homoserine dehydrogenase (NADPH) - metabolites: !!omap - - aspsa_c: 1.0 - - h_c: 1.0 - - hom__L_c: -1.0 - - nadp_c: -1.0 - - nadph_c: 1.0 - - lower_bound: 0.0 - - upper_bound: 1000.0 + - aspsa_c: -1.0 + - h_c: -1.0 + - hom__L_c: 1.0 + - nadp_c: 1.0 + - nadph_c: -1.0 + - lower_bound: 0 + - upper_bound: 1000 - gene_reaction_rule: b3940 or b0002 - subsystem: Threonine and Lysine Metabolism - annotation: !!omap @@ -95728,7 +95911,8 @@ - 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 @@ -103037,7 +103221,8 @@ - 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 @@ -103654,7 +103839,8 @@ - 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 @@ -103759,7 +103945,8 @@ - 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 From 08fff459517ebd9e24f0d60f2a951ab73d7fde1d Mon Sep 17 00:00:00 2001 From: KennetLindquist Date: Thu, 30 Oct 2025 13:45:42 +0000 Subject: [PATCH 2/6] chore: add macaw test result --- data/testResults/macaw_results.csv | 18 +++++++++--------- data/testResults/macaw_summary.md | 6 +++--- 2 files changed, 12 insertions(+), 12 deletions(-) diff --git a/data/testResults/macaw_results.csv b/data/testResults/macaw_results.csv index 02486c1..e0a32bc 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,cyst__L_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 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 --> ,hom__L_e,ok,ok,ok,N/A +EX_hom__L_e,hom__L_e --> ,ok,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 @@ -1589,8 +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,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 +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 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 @@ -1601,9 +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,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 +HSDy,aspsa_c + h_c + nadph_c --> hom__L_c + nadp_c,ok,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 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 @@ -2472,7 +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,cyst__L_c;suchms_c,ok,ok,ok,N/A +SHSL1,cys__L_c + suchms_c --> cyst__L_c + h_c + succ_c,ok,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 @@ -2552,7 +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,phom_c,ok,ok,ok,N/A +THRS,h2o_c + phom_c --> pi_c + thr__L_c,ok,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 diff --git a/data/testResults/macaw_summary.md b/data/testResults/macaw_summary.md index e575b3f..29fb28e 100644 --- a/data/testResults/macaw_summary.md +++ b/data/testResults/macaw_summary.md @@ -1,7 +1,7 @@ Starting dead-end test... - - 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. + - Found 682 dead-end metabolites. + - Found 866 reactions incapable of sustaining steady-state fluxes in either direction due to these dead-ends. + - Found 245 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: From 034d763e9c00a9c2e842e30d38aa061f2a7a0794 Mon Sep 17 00:00:00 2001 From: KennetLindquist Date: Wed, 4 Feb 2026 16:28:19 +0100 Subject: [PATCH 3/6] fix: make succt1pp irreversible in the forward direction fix: make succt1pp irreversible in the forward direction according to issue #37. --- model/Ecoli-GEM.yml | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/model/Ecoli-GEM.yml b/model/Ecoli-GEM.yml index fa8683e..ac4027f 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: "2025-10-30" + date: "2026-02-04" version: "" github: "https://github.com/SysBioChalmers/Ecoli-GEM" - metabolites: @@ -79112,8 +79112,8 @@ - hom__L_c: 1.0 - nadp_c: 1.0 - nadph_c: -1.0 - - lower_bound: 0 - - upper_bound: 1000 + - lower_bound: 0.0 + - upper_bound: 1000.0 - gene_reaction_rule: b3940 or b0002 - subsystem: Threonine and Lysine Metabolism - annotation: !!omap @@ -100346,10 +100346,10 @@ - id: SUCCt1pp - name: Succinate transport via diffusion in (periplasm) - metabolites: !!omap - - succ_c: 1.0 - - succ_p: -1.0 - - lower_bound: 0.0 - - upper_bound: 1000.0 + - succ_c: -1.0 + - succ_p: 1.0 + - lower_bound: 0 + - upper_bound: 1000 - gene_reaction_rule: b1206 - subsystem: Transport, Inner Membrane - annotation: !!omap From 4fc2c459da90d287f6d70da1b5aed7d0a6ee6507 Mon Sep 17 00:00:00 2001 From: KennetLindquist Date: Wed, 4 Feb 2026 15:32:06 +0000 Subject: [PATCH 4/6] chore: add macaw test result --- data/testResults/macaw_results.csv | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/data/testResults/macaw_results.csv b/data/testResults/macaw_results.csv index e0a32bc..74f060f 100644 --- a/data/testResults/macaw_results.csv +++ b/data/testResults/macaw_results.csv @@ -2500,7 +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_c --> succ_p,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 From 366a54eac2fb1c6ea871dd51ac25b3cbbc8e772c Mon Sep 17 00:00:00 2001 From: "github-actions[bot]" Date: Thu, 19 Feb 2026 08:28:48 +0000 Subject: [PATCH 5/6] ci(memote): add Memote HTML report [skip ci] --- memote_report.html | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/memote_report.html b/memote_report.html index bfea948..7c0782d 100644 --- a/memote_report.html +++ b/memote_report.html @@ -20,7 +20,7 @@