From a0bb881c024cd09a66199941ca562ee2e350eccf Mon Sep 17 00:00:00 2001 From: Hao-Chalmers Date: Wed, 23 Jun 2021 11:19:59 +0200 Subject: [PATCH] style/feat: add `metsNoComp` column to mets info --- code/masterScriptMouseGEM.m | 2 +- data/mouseSpecificMets.tsv | 22 +++++++++++----------- 2 files changed, 12 insertions(+), 12 deletions(-) diff --git a/code/masterScriptMouseGEM.m b/code/masterScriptMouseGEM.m index b52ec17..97af14d 100644 --- a/code/masterScriptMouseGEM.m +++ b/code/masterScriptMouseGEM.m @@ -44,6 +44,6 @@ end save('../model/Mouse-GEM.mat', 'mouseGEM'); -writeYaml(mouseGEM, '../model/Mouse-GEM.yml'); +exportYaml(mouseGEM, '../model/Mouse-GEM.yml'); exportModel(mouseGEM, '../model/Mouse-GEM.xml'); diff --git a/data/mouseSpecificMets.tsv b/data/mouseSpecificMets.tsv index d73acac..bd179f6 100644 --- a/data/mouseSpecificMets.tsv +++ b/data/mouseSpecificMets.tsv @@ -1,11 +1,11 @@ -mets metNames metFormulas metCharges compartments metKEGGID metPubChemID metChEBIID metMetaCycID metMetaNetXID -"MAM20001g" "N-Acetyllactosamine" "C14H25NO11" 0 "g" "C00611" "3885" "CHEBI:16153" "BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE" "MNXM729847" -"MAM20002g" "alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosamine" "C20H35NO16" 0 "g" "C04847" "7404" "CHEBI:18217;CHEBI:62327" "ALPHA-D-GALACTOSYL-13-BETA-D-GALACTOS" "MNXM735633" -"MAM20003c" "L-Allothreonine" "C4H9NO3" 0 "c" "C05519" "7864" "CHEBI:58585" "L-ALLO-THREONINE" "MNXM2125" -"MAM20004c" "Benzenamine sulfate" "C6H6NO3S" -1 "c" "C06011" "440879" "CHEBI:3024" "BENZENAMINE-SULFATE" "MNXM8327" -"MAM20005p" "1,3,7-Trimethyluric acid" "C8H10N4O3" 0 "p" "C16361" "47205669" "CHEBI:691622" "CPD-12480" "MNXM2761" -"MAM20006p" "3,6,8-Trimethylallantoin" "C7H12N4O3" 0 "p" "C16362" "47205670" "CHEBI:80471" "CPD-12485" "MNXM6778" -"MAM20007r" "L-xylo-Hexulonolactone" "C6H8O6" 0 "r" "C03289" "6146" "CHEBI:73681" "" "MNXM731654" -"MAM01368r" "ascorbate" "C6H7O6" -1 "r" "C00072" "" "CHEBI:38290" "ASCORBATE" "MNXM727871" -"MAM01104p" "5-hydroxyisourate" "C5H4N4O4" 0 "p" "C11821" "" "CHEBI:250388" "5-HYDROXYISOURATE" "MNXM1137" -"MAM10018p" "5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate" "C5H5N4O5" -1 "p" "C12248" "" "CHEBI:58639" "CPD-5821" "MNXM1805" +mets metNames metFormulas metCharges compartments metKEGGID metPubChemID metChEBIID metMetaCycID metMetaNetXID metsNoComp +"MAM20001g" "N-Acetyllactosamine" "C14H25NO11" 0 "g" "C00611" "3885" "CHEBI:16153" "BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE" "MNXM729847" "MAM20001" +"MAM20002g" "alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosamine" "C20H35NO16" 0 "g" "C04847" "7404" "CHEBI:18217;CHEBI:62327" "ALPHA-D-GALACTOSYL-13-BETA-D-GALACTOS" "MNXM735633" "MAM20002" +"MAM20003c" "L-Allothreonine" "C4H9NO3" 0 "c" "C05519" "7864" "CHEBI:58585" "L-ALLO-THREONINE" "MNXM2125" "MAM20003" +"MAM20004c" "Benzenamine sulfate" "C6H6NO3S" -1 "c" "C06011" "440879" "CHEBI:3024" "BENZENAMINE-SULFATE" "MNXM8327" "MAM20004" +"MAM20005p" "1,3,7-Trimethyluric acid" "C8H10N4O3" 0 "p" "C16361" "47205669" "CHEBI:691622" "CPD-12480" "MNXM2761" "MAM20005" +"MAM20006p" "3,6,8-Trimethylallantoin" "C7H12N4O3" 0 "p" "C16362" "47205670" "CHEBI:80471" "CPD-12485" "MNXM6778" "MAM20006" +"MAM20007r" "L-xylo-Hexulonolactone" "C6H8O6" 0 "r" "C03289" "6146" "CHEBI:73681" "" "MNXM731654" "MAM20007" +"MAM01368r" "ascorbate" "C6H7O6" -1 "r" "C00072" "" "CHEBI:38290" "ASCORBATE" "MNXM727871" "MAM01368" +"MAM01104p" "5-hydroxyisourate" "C5H4N4O4" 0 "p" "C11821" "" "CHEBI:250388" "5-HYDROXYISOURATE" "MNXM1137" "MAM01104" +"MAM10018p" "5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate" "C5H5N4O5" -1 "p" "C12248" "" "CHEBI:58639" "CPD-5821" "MNXM1805" "MAM10018"