diff --git a/dat/corrections_seed_reactionDB.tsv b/dat/corrections_seed_reactionDB.tsv index c77bdec9..3c6233c3 100644 --- a/dat/corrections_seed_reactionDB.tsv +++ b/dat/corrections_seed_reactionDB.tsv @@ -1215,7 +1215,6 @@ rxn05687 > [SW] ptrc:H+ symport only described for import https://metacyc.org/ rxn10560 < H+-coupled transport w/o chemical transformation of transported molecule should work only in the direction where protons are imported. transport rxn12526 < H+-coupled transport w/o chemical transformation of transported molecule should work only in the direction where protons are imported. transport rxn12527 < H+-coupled transport w/o chemical transformation of transported molecule should work only in the direction where protons are imported. transport -rxn12533 < H+-coupled transport w/o chemical transformation of transported molecule should work only in the direction where protons are imported. transport rxn12567 < H+-coupled transport w/o chemical transformation of transported molecule should work only in the direction where protons are imported. transport rxn12586 < H+-coupled transport w/o chemical transformation of transported molecule should work only in the direction where protons are imported. transport rxn12597 < H+-coupled transport w/o chemical transformation of transported molecule should work only in the direction where protons are imported. transport @@ -2646,3 +2645,15 @@ rxn46031 < -1:cpd00067:0:0:"H+";-1:cpd01202:0:0:"Phloretate";-1:cpd27005:0:0:"E rxn90117 = -1:cpd01202:0:0:"Phloretate";-1:cpd00067:0:0:"H+";1:cpd01202:1:0:"Phloretate";1:cpd00067:1:0:"H+" [SW] Transport reaction for Phloretate Phloretate-transport Phloretate-transport rxn41427 > -3:cpd00067:0:0:"H+";-1:cpd00239:0:0:"H2S";-1:cpd00346:0:0:"L-Aspartate4-semialdehyde";-2:cpd11620:0:0:"Reducedferredoxin";1:cpd00001:0:0:"H2O";1:cpd00135:0:0:"Homocysteine";2:cpd11621:0:0:"Oxidizedferredoxin" [SW] Key-reaction in a methionine bionsynthetic pathway. MetaCyc ID PWY-7977 https://metacyc.org/META/NEW-IMAGE?type=REACTION-IN-PATHWAY&object=RXN-19380 asd-S-transferase L-aspartate semialdehyde sulfurtransferase +rxn32690 TRUE [SW] duplicate reaction to rxn00484 +rxn09326 TRUE [SW] duplicate reaction to rxn05663 +rxn09709 TRUE [SW] duplicate reaction to rxn05663 +rxn34411 TRUE [SW] duplicate reaction to rxn05663 +rxn32036 TRUE [SW] duplicate reaction to rxn32033 +rxn32039 TRUE [SW] duplicate reaction to rxn32033 +rxn31860 TRUE [SW] duplicate reaction to rxn14082 +rxn31864 TRUE [SW] duplicate reaction to rxn14082 + +rxn90118 = -1:cpd00067:1:0:"H+";-1:cpd00318:0:0:"Tryptamine";1:cpd00318:1:0:"Tryptamine";1:cpd00067:0:0:"H+" [SW] Tryptamine-proton Antiport to ensure charge-neutral transport transport tryptamine-proton-antiporter Tryptamine transport via proton antiport +rxn05686 TRUE [SW] Reaction is not charge neutral (tranport of net-charge 2) +rxn90119 = -1:cpd00067:1:0:"H+";-1:cpd00374:0:0:"Tyramine";1:cpd00374:1:0:"Tyramine";1:cpd00067:0:0:"H+" [SW] Tyramine-proton Antiport to ensure charge-neutral transport transport Tyramine-proton-antiporter Tyramine transport via proton antiport diff --git a/dat/nutrients.tsv b/dat/nutrients.tsv index c1880947..98ea0dc0 100644 --- a/dat/nutrients.tsv +++ b/dat/nutrients.tsv @@ -187,7 +187,7 @@ cpd00266 Carnitine C7H15NO3 0 MNXM173 cpd00268 Thiosulfate HO3S2 -1 MNXM323 cpd00269 2-Oxoadipate C6H6O5 -2 MNXM263 cpd00274 Citrulline C6H13N3O3 0 MNXM211 -cpd00276 GLUM C6H14NO5 1 MNXM533 +cpd00276 D-Glucosamine C6H14NO5 1 MNXM533 cpd00277 Deoxyguanosine C10H13N5O4 0 MNXM647 cpd00280 D-Galacturonate C6H9O7 -1 MNXM48464 cpd00281 GABA C4H9NO2 0 MNXM192 @@ -209,6 +209,7 @@ cpd00311 Guanosine C10H13N5O5 0 MNXM401 cpd00312 Histamine C5H10N3 1 MNXM635 cpd00313 Quercetin C15H9O7 -1 MNXM620 cpd00314 D-Mannitol C6H14O6 0 MNXM615 +cpd00318 Tryptamine C10H13N2 1 MNXM806 cpd00320 D-Aspartate C4H6NO4 -1 MNXM974 cpd00322 L-Isoleucine C6H13NO2 0 MNXM231 cpd00324 Methanethiol CH4S 0 MNXM652 diff --git a/dat/seed_Enzyme_Class_Reactions_Aliases_unique_edited.tsv b/dat/seed_Enzyme_Class_Reactions_Aliases_unique_edited.tsv index f4e06e71..cf76b2e8 100644 --- a/dat/seed_Enzyme_Class_Reactions_Aliases_unique_edited.tsv +++ b/dat/seed_Enzyme_Class_Reactions_Aliases_unique_edited.tsv @@ -4180,6 +4180,7 @@ rxn16805 4.1.1.94 Enzyme Class rxn20838 4.1.1.99 Enzyme Class rxn41263 4.1.1.110 Enzyme Class rxn11132 4.1.1.101 Enzyme Class +rxn00484 4.1.1.105 Enzyme Class rxn01202|rxn01203|rxn01334|rxn01619|rxn02351|rxn03458|rxn03884|rxn03920|rxn15748|rxn15750|rxn23641|rxn26038|rxn26435 rxn01202|rxn01203|rxn01619|rxn02351|rxn03458|rxn03643|rxn03920 4.1.2.- Enzyme Class rxn01296|rxn05998|rxn06250|rxn20170|rxn31668 rxn01296|rxn05998|rxn06250|rxn13959 4.1.2.10 Enzyme Class rxn01935|rxn05998|rxn06250|rxn19917|rxn31668 rxn01935|rxn05998|rxn06250|rxn13959 4.1.2.11 Enzyme Class diff --git a/dat/seed_reactions_corrected.tsv b/dat/seed_reactions_corrected.tsv index 1590621e..86465a13 100644 --- a/dat/seed_reactions_corrected.tsv +++ b/dat/seed_reactions_corrected.tsv @@ -5557,7 +5557,7 @@ rxn05682 ALLTNt2r allantoin transport in via proton symport (1) cpd01092[1] <=> rxn05683 BUTt2r Butyrate transport via proton symport, reversible (1) cpd00211[1] <=> (1) cpd00211[0] -1:cpd00067:1:0:"H+";-1:cpd00211:1:0:"Butyrate";1:cpd00067:0:0:"H+";1:cpd00211:0:0:"Butyrate" 1 (1) cpd00067[1] + (1) cpd00211[1] <=> (1) cpd00067[0] + (1) cpd00211[0] (1) H+[1] + (1) Butyrate[1] <=> (1) H+[0] + (1) Butyrate[0] = = 0 2 cpd00067;cpd00211 OK 0 rxn08183 approved rxn05684 TRANS-RXNBWI-115359.ce TRANS-RXNBWI-115359.ce (1) cpd00227[1] <=> (1) cpd00227[0] -1:cpd00067:1:0:"H+";-1:cpd00227:1:0:"L-Homoserine";1:cpd00067:0:0:"H+";1:cpd00227:0:0:"L-Homoserine" 1 (1) cpd00067[1] + (1) cpd00227[1] <=> (1) cpd00067[0] + (1) cpd00227[0] (1) H+[1] + (1) L-Homoserine[1] <=> (1) H+[0] + (1) L-Homoserine[0] = = 0 2 cpd00067;cpd00227 OK 0 approved rxn05685 TRANS-RXNAVI-26524.ce.brachyexp.RIBITOL_RIBITOL TRANS-RXNAVI-26524.ce.brachyexp.RIBITOL_RIBITOL (1) cpd00366[1] <=> (1) cpd00366[0] -1:cpd00067:1:0:"H+";-1:cpd00366:1:0:"Ribitol";1:cpd00067:0:0:"H+";1:cpd00366:0:0:"Ribitol" 1 (1) cpd00067[1] + (1) cpd00366[1] <=> (1) cpd00067[0] + (1) cpd00366[0] (1) H+[1] + (1) Ribitol[1] <=> (1) H+[0] + (1) Ribitol[0] = = 0 2 cpd00067;cpd00366 OK 0 approved -rxn05686 Tyramine transport in via proton symport Tyramine transport in via proton symport (1) cpd00374[1] <=> (1) cpd00374[0] -1:cpd00067:1:0:"H+";-1:cpd00374:1:0:"Tyramine";1:cpd00067:0:0:"H+";1:cpd00374:0:0:"Tyramine" 1 (1) cpd00067[1] + (1) cpd00374[1] <=> (1) cpd00067[0] + (1) cpd00374[0] (1) H+[1] + (1) Tyramine[1] <=> (1) H+[0] + (1) Tyramine[0] = = 0 2 cpd00067;cpd00374 OK 0 approved +rxn05686 Tyramine transport in via proton symport Tyramine transport in via proton symport (1) cpd00374[1] <=> (1) cpd00374[0] -1:cpd00067:1:0:"H+";-1:cpd00374:1:0:"Tyramine";1:cpd00067:0:0:"H+";1:cpd00374:0:0:"Tyramine" 1 (1) cpd00067[1] + (1) cpd00374[1] <=> (1) cpd00067[0] + (1) cpd00374[0] (1) H+[1] + (1) Tyramine[1] <=> (1) H+[0] + (1) Tyramine[0] = = 0 2 cpd00067;cpd00374 OK 0 removed rxn05687 U171 Transport of putrescine, extracellular (1) cpd00118[1] <=> (1) cpd00118[0] -1:cpd00067:1:0:"H+";-1:cpd00118:1:0:"Putrescine";1:cpd00067:0:0:"H+";1:cpd00118:0:0:"Putrescine" 1 (1) cpd00067[1] + (1) cpd00118[1] => (1) cpd00067[0] + (1) cpd00118[0] (1) H+[1] + (1) Putrescine[1] => (1) H+[0] + (1) Putrescine[0] > = 0 2 cpd00067;cpd00118 OK 0 rxn09215;rxn34528 corrected rxn05688 Pectin transport in via proton symport Pectin transport in via proton symport (1) cpd11601[1] <=> (1) cpd11601[0] -1:cpd00067:1:0:"H+";-1:cpd11601:1:0:"Pectin";1:cpd00067:0:0:"H+";1:cpd11601:0:0:"Pectin" 1 (1) cpd00067[1] + (1) cpd11601[1] <=> (1) cpd00067[0] + (1) cpd11601[0] (1) H+[1] + (1) Pectin[1] <=> (1) H+[0] + (1) Pectin[0] = = 0 2 cpd00067;cpd11601 OK 0 approved rxn05689 TRANS-RXNAVI-26524.ce.brachyexp.TAGATOSE_TAGATOSE TRANS-RXNAVI-26524.ce.brachyexp.TAGATOSE_TAGATOSE (1) cpd00589[1] <=> (1) cpd00589[0] -1:cpd00067:1:0:"H+";-1:cpd00589:1:0:"D-Tagatose";1:cpd00067:0:0:"H+";1:cpd00589:0:0:"D-Tagatose" 1 (1) cpd00067[1] + (1) cpd00589[1] <=> (1) cpd00067[0] + (1) cpd00589[0] (1) H+[1] + (1) D-Tagatose[1] <=> (1) H+[0] + (1) D-Tagatose[0] = = 0 2 cpd00067;cpd00589 OK 0 approved @@ -8902,7 +8902,7 @@ rxn09318 TMAtex Trimethylamine transport via diffusion (extracellular to peripla rxn09320 R09675 ATP:3'-dephospho-CoA 5-triphosphoribosyltransferase (1) cpd00002[0] + (1) cpd00655[0] <=> (1) cpd00128[0] + (1) cpd15364[0] -1:cpd00002:0:0:"ATP";-1:cpd00655:0:0:"Dephospho-CoA";1:cpd00128:0:0:"Adenine";1:cpd15364:0:0:"2'-(5''-triphosphoribosyl)-3'-dephospho-CoA" 0 (1) cpd00002[0] + (1) cpd00655[0] <=> (1) cpd00128[0] + (1) cpd15364[0] (1) ATP[0] + (1) Dephospho-CoA[0] <=> (1) Adenine[0] + (1) 2'-(5''-triphosphoribosyl)-3'-dephospho-CoA[0] = = 2.38 0.92 cpd00002;cpd00128;cpd00655;cpd15364 OK 0 approved rxn09322 TRANS-RXN-168.cp trehalose phosphotransferase system (1) cpd00061[0] + (1) cpd00794[1] <=> (1) cpd00020[0] + (1) cpd00523[0] -1:cpd00061:0:0:"Phosphoenolpyruvate";-1:cpd00794:1:0:"TRHL";1:cpd00020:0:0:"Pyruvate";1:cpd00523:0:0:"Trehalose 6-phosphate" 1 (1) cpd00061[0] + (1) cpd00794[1] => (1) cpd00020[0] + (1) cpd00523[0] (1) Phosphoenolpyruvate[0] + (1) TRHL[1] => (1) Pyruvate[0] + (1) Trehalose 6-phosphate[0] > = -9.11 0.64 cpd00020;cpd00061;cpd00523;cpd00794 OK 1 rxn02005 rxn02005 corrected rxn09323 TREtex trehalose transport via diffusion (extracellular to periplasm) (1) cpd00794[0] <=> (1) cpd00794[1] -1:cpd00794:0:0:"TRHL";1:cpd00794:1:0:"TRHL" 1 (1) cpd00794[0] <=> (1) cpd00794[1] (1) TRHL[0] <=> (1) TRHL[1] = = 0 2 cpd00794 OK 0 rxn28595 removed -rxn09326 TRANS-RXN-76.cp TRANS-RXN-76.cp (1) cpd00065[1] <=> (1) cpd00065[0] -1:cpd00065:1:0:"L-Tryptophan";-1:cpd00067:1:0:"H+";1:cpd00065:0:0:"L-Tryptophan";1:cpd00067:0:0:"H+" 1 (1) cpd00065[1] + (1) cpd00067[1] <=> (1) cpd00065[0] + (1) cpd00067[0] (1) L-Tryptophan[1] + (1) H+[1] <=> (1) L-Tryptophan[0] + (1) H+[0] = = 0 2 cpd00065;cpd00067 OK 1 rxn05663;rxn09709;rxn34411 rxn05663 approved +rxn09326 TRANS-RXN-76.cp TRANS-RXN-76.cp (1) cpd00065[1] <=> (1) cpd00065[0] -1:cpd00065:1:0:"L-Tryptophan";-1:cpd00067:1:0:"H+";1:cpd00065:0:0:"L-Tryptophan";1:cpd00067:0:0:"H+" 1 (1) cpd00065[1] + (1) cpd00067[1] <=> (1) cpd00065[0] + (1) cpd00067[0] (1) L-Tryptophan[1] + (1) H+[1] <=> (1) L-Tryptophan[0] + (1) H+[0] = = 0 2 cpd00065;cpd00067 OK 1 rxn05663;rxn09709;rxn34411 rxn05663 removed rxn09327 TRPtex L-tryptophan transport via diffusion (extracellular to periplasm) (1) cpd00065[0] <=> (1) cpd00065[1] -1:cpd00065:0:0:"L-Tryptophan";1:cpd00065:1:0:"L-Tryptophan" 1 (1) cpd00065[0] <=> (1) cpd00065[1] (1) L-Tryptophan[0] <=> (1) L-Tryptophan[1] = = 0 2 cpd00065 OK 1 rxn05222;rxn31848;rxn34118 rxn05222 removed rxn09329 ABC-7-RXN.cp ABC-7-RXN.cp (1) cpd00001[0] + (1) cpd00002[0] + (1) cpd00268[1] <=> (1) cpd00008[0] + (1) cpd00009[0] + (1) cpd00268[0] -1:cpd00001:0:0:"H2O";-1:cpd00002:0:0:"ATP";-1:cpd00268:1:0:"H2S2O3";1:cpd00008:0:0:"ADP";1:cpd00009:0:0:"Phosphate";1:cpd00067:0:0:"H+";1:cpd00268:0:0:"H2S2O3" 1 (1) cpd00001[0] + (1) cpd00002[0] + (1) cpd00268[1] => (1) cpd00008[0] + (1) cpd00009[0] + (1) cpd00067[0] + (1) cpd00268[0] (1) H2O[0] + (1) ATP[0] + (1) H2S2O3[1] => (1) ADP[0] + (1) Phosphate[0] + (1) H+[0] + (1) H2S2O3[0] > > -6.82 0.72 cpd00001;cpd00002;cpd00008;cpd00009;cpd00067;cpd00268 OK 1 rxn05176 rxn05176 approved rxn09330 TSULtex thiosulfate transport via diffusion (extracellular to periplasm) (1) cpd00268[0] <=> (1) cpd00268[1] -1:cpd00268:0:0:"H2S2O3";1:cpd00268:1:0:"H2S2O3" 1 (1) cpd00268[0] <=> (1) cpd00268[1] (1) H2S2O3[0] <=> (1) H2S2O3[1] = = 0 2 cpd00268 OK 0 rxn29734;rxn32632;rxn38730 removed @@ -9219,7 +9219,7 @@ rxn09705 GDPt3g GDP Golgi transport via proton anitport (1) cpd00031[1] <=> (1) rxn09706 CO2tg CO2 Golgi transport (1) cpd00011[0] <=> (1) cpd00011[1] -1:cpd00011:0:0:"CO2";1:cpd00011:1:0:"CO2" 1 (1) cpd00011[0] <=> (1) cpd00011[1] (1) CO2[0] <=> (1) CO2[1] = = 0 2 cpd00011 OK 1 rxn05467;rxn08237;rxn08238;rxn09775;rxn09821;rxn09860;rxn09876;rxn31163;rxn33396 rxn05467 approved rxn09707 VALt2m Valine reversible mitochondrial transport via proton symport (1) cpd00156[0] <=> (1) cpd00156[1] -1:cpd00067:0:0:"H+";-1:cpd00156:0:0:"L-Valine";1:cpd00067:1:0:"H+";1:cpd00156:1:0:"L-Valine" 1 (1) cpd00067[0] + (1) cpd00156[0] <=> (1) cpd00067[1] + (1) cpd00156[1] (1) H+[0] + (1) L-Valine[0] <=> (1) H+[1] + (1) L-Valine[1] = = 0 2 cpd00067;cpd00156 OK 1 rxn05669;rxn09374;rxn34418 rxn05669 approved rxn09708 TYRt2m tyrosine mitochondrial transport via proton symport (1) cpd00069[0] <=> (1) cpd00069[1] -1:cpd00067:0:0:"H+";-1:cpd00069:0:0:"L-Tyrosine";1:cpd00067:1:0:"H+";1:cpd00069:1:0:"L-Tyrosine" 1 (1) cpd00067[0] + (1) cpd00069[0] <=> (1) cpd00067[1] + (1) cpd00069[1] (1) H+[0] + (1) L-Tyrosine[0] <=> (1) H+[1] + (1) L-Tyrosine[1] = = 0 2 cpd00067;cpd00069 OK 1 rxn05301;rxn09338;rxn09831;rxn13412;rxn34413 rxn05301 approved -rxn09709 TRPt2m tryptophan mitochondrial transport via proton symport (1) cpd00065[0] <=> (1) cpd00065[1] -1:cpd00065:0:0:"L-Tryptophan";-1:cpd00067:0:0:"H+";1:cpd00065:1:0:"L-Tryptophan";1:cpd00067:1:0:"H+" 1 (1) cpd00065[0] + (1) cpd00067[0] <=> (1) cpd00065[1] + (1) cpd00067[1] (1) L-Tryptophan[0] + (1) H+[0] <=> (1) L-Tryptophan[1] + (1) H+[1] = = 0 2 cpd00065;cpd00067 OK 1 rxn05663;rxn09326;rxn34411 rxn05663 approved +rxn09709 TRPt2m tryptophan mitochondrial transport via proton symport (1) cpd00065[0] <=> (1) cpd00065[1] -1:cpd00065:0:0:"L-Tryptophan";-1:cpd00067:0:0:"H+";1:cpd00065:1:0:"L-Tryptophan";1:cpd00067:1:0:"H+" 1 (1) cpd00065[0] + (1) cpd00067[0] <=> (1) cpd00065[1] + (1) cpd00067[1] (1) L-Tryptophan[0] + (1) H+[0] <=> (1) L-Tryptophan[1] + (1) H+[1] = = 0 2 cpd00065;cpd00067 OK 1 rxn05663;rxn09326;rxn34411 rxn05663 removed rxn09710 THRt2m threonine mitochondrial transport via proton symport (1) cpd00161[0] <=> (1) cpd00161[1] -1:cpd00067:0:0:"H+";-1:cpd00161:0:0:"L-Threonine";1:cpd00067:1:0:"H+";1:cpd00161:1:0:"L-Threonine" 1 (1) cpd00067[0] + (1) cpd00161[0] <=> (1) cpd00067[1] + (1) cpd00161[1] (1) H+[0] + (1) L-Threonine[0] <=> (1) H+[1] + (1) L-Threonine[1] = = 0 2 cpd00067;cpd00161 OK 1 rxn05300;rxn09305;rxn34410 rxn05300 approved rxn09711 U114 Transport of tetrahydrofolate, mitochondrial (1) cpd00087[0] <=> (1) cpd00087[1] -1:cpd00087:0:0:"Tetrahydrofolate";1:cpd00087:1:0:"Tetrahydrofolate" 1 (1) cpd00087[0] <=> (1) cpd00087[1] (1) Tetrahydrofolate[0] <=> (1) Tetrahydrofolate[1] = = 0 2 cpd00087 OK 0 rxn33478;rxn34096;rxn38797 approved rxn09712 SFC1 Succinate/fumarate mitochondrial transporter (1) cpd00036[0] + (1) cpd00106[1] <=> (1) cpd00036[1] + (1) cpd00106[0] -1:cpd00036:0:0:"Succinate";-1:cpd00106:1:0:"Fumarate";1:cpd00036:1:0:"Succinate";1:cpd00106:0:0:"Fumarate" 1 (1) cpd00036[0] + (1) cpd00106[1] <=> (1) cpd00036[1] + (1) cpd00106[0] (1) Succinate[0] + (1) Fumarate[1] <=> (1) Succinate[1] + (1) Fumarate[0] = = 0 2 cpd00036;cpd00106 OK 1 rxn09273;rxn10159;rxn34272 rxn09273 approved @@ -11627,7 +11627,7 @@ rxn12529 TRANS-RXNAVI-26524.ce.brachyexp.GLYCEROL_GLYCEROL TRANS-RXNAVI-26524.ce rxn12530 D-Aspartate transport via proton symport D-Aspartate transport via proton symport (1) cpd00320[1] <=> (1) cpd00320[0] -1:cpd00067:1:0:"H+";-1:cpd00320:1:0:"D-Aspartate";1:cpd00067:0:0:"H+";1:cpd00320:0:0:"D-Aspartate" 1 (1) cpd00067[1] + (1) cpd00320[1] <=> (1) cpd00067[0] + (1) cpd00320[0] (1) H+[1] + (1) D-Aspartate[1] <=> (1) H+[0] + (1) D-Aspartate[0] = = 0 2 cpd00067;cpd00320 OK 0 rxn30249 approved rxn12531 D-Methionine transport via proton symport D-Methionine transport via proton symport (1) cpd00637[1] <=> (1) cpd00637[0] -1:cpd00067:1:0:"H+";-1:cpd00637:1:0:"D-Methionine";1:cpd00067:0:0:"H+";1:cpd00637:0:0:"D-Methionine" 1 (1) cpd00067[1] + (1) cpd00637[1] <=> (1) cpd00067[0] + (1) cpd00637[0] (1) H+[1] + (1) D-Methionine[1] <=> (1) H+[0] + (1) D-Methionine[0] = = 0 2 cpd00067;cpd00637 OK 0 approved rxn12532 TRANS-RXNAVI-26524.ce.brachyexp.XYLITOL_XYLITOL TRANS-RXNAVI-26524.ce.brachyexp.XYLITOL_XYLITOL (1) cpd00306[1] <=> (1) cpd00306[0] -1:cpd00067:1:0:"H+";-1:cpd00306:1:0:"Xylitol";1:cpd00067:0:0:"H+";1:cpd00306:0:0:"Xylitol" 1 (1) cpd00067[1] + (1) cpd00306[1] <=> (1) cpd00067[0] + (1) cpd00306[0] (1) H+[1] + (1) Xylitol[1] <=> (1) H+[0] + (1) Xylitol[0] = = 0 2 cpd00067;cpd00306 OK 0 approved -rxn12533 Phenethylamine transport via proton antiport Phenethylamine transport via proton antiport (1) cpd03161[1] <=> (1) cpd03161[0] -1:cpd00067:0:0:"H+";-1:cpd03161:1:0:"Phenethylamine";1:cpd00067:1:0:"H+";1:cpd03161:0:0:"Phenethylamine" 1 (1) cpd00067[0] + (1) cpd03161[1] <= (1) cpd00067[1] + (1) cpd03161[0] (1) H+[0] + (1) Phenethylamine[1] <= (1) H+[1] + (1) Phenethylamine[0] < = 0 2 cpd00067;cpd03161 OK 0 corrected +rxn12533 Phenethylamine transport via proton antiport Phenethylamine transport via proton antiport (1) cpd03161[1] <=> (1) cpd03161[0] -1:cpd00067:0:0:"H+";-1:cpd03161:1:0:"Phenethylamine";1:cpd00067:1:0:"H+";1:cpd03161:0:0:"Phenethylamine" 1 (1) cpd00067[0] + (1) cpd03161[1] <=> (1) cpd00067[1] + (1) cpd03161[0] (1) H+[0] + (1) Phenethylamine[1] <=> (1) H+[1] + (1) Phenethylamine[0] = = 0 2 cpd00067;cpd03161 OK 0 approved rxn12534 L-Djenkolic acid transport via proton symport L-Djenkolic acid transport via proton symport (1) cpd05190[1] <=> (1) cpd05190[0] -1:cpd00067:1:0:"H+";-1:cpd05190:1:0:"Djenkolate";1:cpd00067:0:0:"H+";1:cpd05190:0:0:"Djenkolate" 1 (1) cpd00067[1] + (1) cpd05190[1] <=> (1) cpd00067[0] + (1) cpd05190[0] (1) H+[1] + (1) Djenkolate[1] <=> (1) H+[0] + (1) Djenkolate[0] = = 0 2 cpd00067;cpd05190 OK 0 approved rxn12535 2-Hydroxyethanesulfonate transport via proton symport 2-Hydroxyethanesulfonate transport via proton symport (1) cpd03048[1] <=> (1) cpd03048[0] -1:cpd00067:1:0:"H+";-1:cpd03048:1:0:"Isethionate";1:cpd00067:0:0:"H+";1:cpd03048:0:0:"Isethionate" 1 (1) cpd00067[1] + (1) cpd03048[1] <=> (1) cpd00067[0] + (1) cpd03048[0] (1) H+[1] + (1) Isethionate[1] <=> (1) H+[0] + (1) Isethionate[0] = = 0 2 cpd00067;cpd03048 OK 0 approved rxn12536 sorbate transport via proton symport sorbate transport via proton symport (1) cpd16648[1] <=> (1) cpd16648[0] -1:cpd00067:1:0:"H+";-1:cpd16648:1:0:"sorbate";1:cpd00067:0:0:"H+";1:cpd16648:0:0:"sorbate" 1 (1) cpd00067[1] + (1) cpd16648[1] <=> (1) cpd00067[0] + (1) cpd16648[0] (1) H+[1] + (1) sorbate[1] <=> (1) H+[0] + (1) sorbate[0] = = 0 2 cpd00067;cpd16648 OK 0 approved @@ -27561,11 +27561,11 @@ rxn31856 TR_met667_c_x - (1) cpd03526[0] <=> (1) cpd03526[1] -1:cpd03526:0:0:"N- rxn31857 rxn570_p (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate pyruvate-lyase (1) cpd02799[0] <=> (1) cpd00020[0] + (1) cpd00036[0] -1:cpd02799:0:0:"Methylisocitrate";1:cpd00020:0:0:"Pyruvate";1:cpd00036:0:0:"Succinate" 0 (1) cpd02799[0] <=> (1) cpd00020[0] + (1) cpd00036[0] (1) Methylisocitrate[0] <=> (1) Pyruvate[0] + (1) Succinate[0] = = 4.98 0.45 cpd00020;cpd00036;cpd02799 OK 1 rxn00289;rxn30406;rxn31866 rxn00289 approved rxn31858 rxn1325_r RXN-8286 (2) cpd01133[0] <=> (1) cpd00382[0] + (1) cpd05170[0] -2:cpd01133:0:0:"Stachyose";1:cpd00382:0:0:"Melitose";1:cpd05170:0:0:"Verbascose" 0 (2) cpd01133[0] <=> (1) cpd00382[0] + (1) cpd05170[0] (2) Stachyose[0] <=> (1) Melitose[0] + (1) Verbascose[0] = = 0 2 cpd00382;cpd01133;cpd05170 OK 1 rxn24752;rxn31861;rxn31925 rxn24752 not.assessed rxn31859 TR_met1083_c_r - (1) cpd00248[0] <=> (1) cpd00248[1] -1:cpd00248:0:0:"Quinate";1:cpd00248:1:0:"Quinate" 1 (1) cpd00248[0] <=> (1) cpd00248[1] (1) Quinate[0] <=> (1) Quinate[1] = = 0 2 cpd00248 OK 1 rxn12452;rxn31862;rxn31865 rxn12452 removed -rxn31860 rxn1083_m tryptamine,NADPH:oxygen oxidoreductase (N-hydroxylating) (1) cpd00005[0] + (1) cpd00007[0] + (1) cpd00318[0] <=> (1) cpd00001[0] + (1) cpd00006[0] + (1) cpd17394[0] -1:cpd00005:0:0:"NADPH";-1:cpd00007:0:0:"O2";-1:cpd00318:0:0:"Tryptamine";1:cpd00001:0:0:"H2O";1:cpd00006:0:0:"NADP";1:cpd17394:0:0:"N-Hydroxyl-tryptamine" 0 (1) cpd00005[0] + (1) cpd00007[0] + (1) cpd00318[0] => (1) cpd00001[0] + (1) cpd00006[0] + (1) cpd17394[0] (1) NADPH[0] + (1) O2[0] + (1) Tryptamine[0] => (1) H2O[0] + (1) NADP[0] + (1) N-Hydroxyl-tryptamine[0] > > -90.63 1.38 cpd00001;cpd00005;cpd00006;cpd00007;cpd00318;cpd17394 OK 1 rxn14082;rxn31864 rxn14082 approved +rxn31860 rxn1083_m tryptamine,NADPH:oxygen oxidoreductase (N-hydroxylating) (1) cpd00005[0] + (1) cpd00007[0] + (1) cpd00318[0] <=> (1) cpd00001[0] + (1) cpd00006[0] + (1) cpd17394[0] -1:cpd00005:0:0:"NADPH";-1:cpd00007:0:0:"O2";-1:cpd00318:0:0:"Tryptamine";1:cpd00001:0:0:"H2O";1:cpd00006:0:0:"NADP";1:cpd17394:0:0:"N-Hydroxyl-tryptamine" 0 (1) cpd00005[0] + (1) cpd00007[0] + (1) cpd00318[0] => (1) cpd00001[0] + (1) cpd00006[0] + (1) cpd17394[0] (1) NADPH[0] + (1) O2[0] + (1) Tryptamine[0] => (1) H2O[0] + (1) NADP[0] + (1) N-Hydroxyl-tryptamine[0] > > -90.63 1.38 cpd00001;cpd00005;cpd00006;cpd00007;cpd00318;cpd17394 OK 1 rxn14082;rxn31864 rxn14082 removed rxn31861 rxn1325_v RXN-8286 (2) cpd01133[0] <=> (1) cpd00382[0] + (1) cpd05170[0] -2:cpd01133:0:0:"Stachyose";1:cpd00382:0:0:"Melitose";1:cpd05170:0:0:"Verbascose" 0 (2) cpd01133[0] <=> (1) cpd00382[0] + (1) cpd05170[0] (2) Stachyose[0] <=> (1) Melitose[0] + (1) Verbascose[0] = = 0 2 cpd00382;cpd01133;cpd05170 OK 1 rxn24752;rxn31858;rxn31925 rxn24752 not.assessed rxn31862 TR_met1083_c_p - (1) cpd00248[0] <=> (1) cpd00248[1] -1:cpd00248:0:0:"Quinate";1:cpd00248:1:0:"Quinate" 1 (1) cpd00248[0] <=> (1) cpd00248[1] (1) Quinate[0] <=> (1) Quinate[1] = = 0 2 cpd00248 OK 1 rxn12452;rxn31859;rxn31865 rxn12452 removed rxn31863 rxn2_x 3-alpha (17-beta)-hydroxysteroid dehydrogenase (NAD+) (1) cpd00003[0] + (1) cpd00420[0] <=> (1) cpd00004[0] + (1) cpd00237[0] -1:cpd00003:0:0:"NAD";-1:cpd00420:0:0:"Testosterone";1:cpd00004:0:0:"NADH";1:cpd00067:0:0:"H+";1:cpd00237:0:0:"Androstenedione" 0 (1) cpd00003[0] + (1) cpd00420[0] <=> (1) cpd00004[0] + (1) cpd00067[0] + (1) cpd00237[0] (1) NAD[0] + (1) Testosterone[0] <=> (1) NADH[0] + (1) H+[0] + (1) Androstenedione[0] = = 2.3 1.11 cpd00003;cpd00004;cpd00067;cpd00237;cpd00420 OK 1 rxn01336;rxn31878 rxn01336 approved -rxn31864 rxn1083_r tryptamine,NADPH:oxygen oxidoreductase (N-hydroxylating) (1) cpd00005[0] + (1) cpd00007[0] + (1) cpd00318[0] <=> (1) cpd00001[0] + (1) cpd00006[0] + (1) cpd17394[0] -1:cpd00005:0:0:"NADPH";-1:cpd00007:0:0:"O2";-1:cpd00318:0:0:"Tryptamine";1:cpd00001:0:0:"H2O";1:cpd00006:0:0:"NADP";1:cpd17394:0:0:"N-Hydroxyl-tryptamine" 0 (1) cpd00005[0] + (1) cpd00007[0] + (1) cpd00318[0] => (1) cpd00001[0] + (1) cpd00006[0] + (1) cpd17394[0] (1) NADPH[0] + (1) O2[0] + (1) Tryptamine[0] => (1) H2O[0] + (1) NADP[0] + (1) N-Hydroxyl-tryptamine[0] > > -90.63 1.38 cpd00001;cpd00005;cpd00006;cpd00007;cpd00318;cpd17394 OK 1 rxn14082;rxn31860 rxn14082 approved +rxn31864 rxn1083_r tryptamine,NADPH:oxygen oxidoreductase (N-hydroxylating) (1) cpd00005[0] + (1) cpd00007[0] + (1) cpd00318[0] <=> (1) cpd00001[0] + (1) cpd00006[0] + (1) cpd17394[0] -1:cpd00005:0:0:"NADPH";-1:cpd00007:0:0:"O2";-1:cpd00318:0:0:"Tryptamine";1:cpd00001:0:0:"H2O";1:cpd00006:0:0:"NADP";1:cpd17394:0:0:"N-Hydroxyl-tryptamine" 0 (1) cpd00005[0] + (1) cpd00007[0] + (1) cpd00318[0] => (1) cpd00001[0] + (1) cpd00006[0] + (1) cpd17394[0] (1) NADPH[0] + (1) O2[0] + (1) Tryptamine[0] => (1) H2O[0] + (1) NADP[0] + (1) N-Hydroxyl-tryptamine[0] > > -90.63 1.38 cpd00001;cpd00005;cpd00006;cpd00007;cpd00318;cpd17394 OK 1 rxn14082;rxn31860 rxn14082 removed rxn31865 TR_met1083_c_m - (1) cpd00248[0] <=> (1) cpd00248[1] -1:cpd00248:0:0:"Quinate";1:cpd00248:1:0:"Quinate" 1 (1) cpd00248[0] <=> (1) cpd00248[1] (1) Quinate[0] <=> (1) Quinate[1] = = 0 2 cpd00248 OK 1 rxn12452;rxn31859;rxn31862 rxn12452 removed rxn31866 rxn570_v (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate pyruvate-lyase (1) cpd02799[0] <=> (1) cpd00020[0] + (1) cpd00036[0] -1:cpd02799:0:0:"Methylisocitrate";1:cpd00020:0:0:"Pyruvate";1:cpd00036:0:0:"Succinate" 0 (1) cpd02799[0] <=> (1) cpd00020[0] + (1) cpd00036[0] (1) Methylisocitrate[0] <=> (1) Pyruvate[0] + (1) Succinate[0] = = 4.98 0.45 cpd00020;cpd00036;cpd02799 OK 1 rxn00289;rxn30406;rxn31857 rxn00289 approved rxn31867 rxn45_r Dolichyl-phosphate beta-glucosyltransferase (1) cpd00026[0] + (1) cpd11619[0] <=> (1) cpd00014[0] + (1) cpd11831[0] -1:cpd00026:0:0:"UDP-glucose";-1:cpd11619:0:0:"Dolichyl phosphate";1:cpd00014:0:0:"UDP";1:cpd11831:0:0:"Dolichyl beta-D-glucosyl phosphate" 0 (1) cpd00026[0] + (1) cpd11619[0] <=> (1) cpd00014[0] + (1) cpd11831[0] (1) UDP-glucose[0] + (1) Dolichyl phosphate[0] <=> (1) UDP[0] + (1) Dolichyl beta-D-glucosyl phosphate[0] = = 0 2 cpd00014;cpd00026;cpd11619;cpd11831 MI:C:10/H:16 1 rxn05914 rxn05914 not.assessed @@ -27736,10 +27736,10 @@ rxn32032 rxn969_x - (1) cpd00015[0] + (1) cpd15043[0] <=> (1) cpd00982[0] + (1) rxn32033 TR_met1157_c_r - (1) cpd00318[0] <=> (1) cpd00318[1] -1:cpd00318:0:0:"Tryptamine";1:cpd00318:1:0:"Tryptamine" 1 (1) cpd00318[0] <=> (1) cpd00318[1] (1) Tryptamine[0] <=> (1) Tryptamine[1] = = 0 2 cpd00318 OK 0 rxn32036;rxn32039 not.assessed rxn32034 TR_met1125_c_r - (1) cpd00267[0] <=> (1) cpd00267[1] -1:cpd00267:0:0:"Sphingoid";1:cpd00267:1:0:"Sphingoid" 1 (1) cpd00267[0] <=> (1) cpd00267[1] (1) Sphingoid[0] <=> (1) Sphingoid[1] = = 0 2 cpd00267 OK 0 not.assessed rxn32035 rxn521_p - (3) cpd00008[0] + (3) cpd00009[0] + (8) cpd11632[0] <=> (3) cpd00001[0] + (3) cpd00002[0] -3:cpd00008:0:0:"ADP";-3:cpd00009:0:0:"Phosphate";-3:cpd00067:0:0:"H+";-8:cpd11632:0:0:"hn";3:cpd00001:0:0:"H2O";3:cpd00002:0:0:"ATP" 0 (3) cpd00008[0] + (3) cpd00009[0] + (3) cpd00067[0] + (8) cpd11632[0] <= (3) cpd00001[0] + (3) cpd00002[0] (3) ADP[0] + (3) Phosphate[0] + (3) H+[0] + (8) hn[0] <= (3) H2O[0] + (3) ATP[0] < < 20.45 2.15 cpd00001;cpd00002;cpd00008;cpd00009;cpd00067;cpd11632 OK 0 not.assessed -rxn32036 TR_met1157_c_p - (1) cpd00318[0] <=> (1) cpd00318[1] -1:cpd00318:0:0:"Tryptamine";1:cpd00318:1:0:"Tryptamine" 1 (1) cpd00318[0] <=> (1) cpd00318[1] (1) Tryptamine[0] <=> (1) Tryptamine[1] = = 0 2 cpd00318 OK 1 rxn32033;rxn32039 rxn32033 not.assessed +rxn32036 TR_met1157_c_p - (1) cpd00318[0] <=> (1) cpd00318[1] -1:cpd00318:0:0:"Tryptamine";1:cpd00318:1:0:"Tryptamine" 1 (1) cpd00318[0] <=> (1) cpd00318[1] (1) Tryptamine[0] <=> (1) Tryptamine[1] = = 0 2 cpd00318 OK 1 rxn32033;rxn32039 rxn32033 removed rxn32037 TR_met1076_c_p - (1) cpd00478[0] <=> (1) cpd00478[1] -1:cpd00478:0:0:"Pyridoxine phosphate";1:cpd00478:1:0:"Pyridoxine phosphate" 1 (1) cpd00478[0] <=> (1) cpd00478[1] (1) Pyridoxine phosphate[0] <=> (1) Pyridoxine phosphate[1] = = 0 2 cpd00478 OK 0 not.assessed rxn32038 TR_met1188_c_r - (1) cpd03221[0] <=> (1) cpd03221[1] -1:cpd03221:0:0:"Zymosterol";1:cpd03221:1:0:"Zymosterol" 1 (1) cpd03221[0] <=> (1) cpd03221[1] (1) Zymosterol[0] <=> (1) Zymosterol[1] = = 0 2 cpd03221 OK 1 rxn09649;rxn32041 rxn09649 approved -rxn32039 TR_met1157_c_m - (1) cpd00318[0] <=> (1) cpd00318[1] -1:cpd00318:0:0:"Tryptamine";1:cpd00318:1:0:"Tryptamine" 1 (1) cpd00318[0] <=> (1) cpd00318[1] (1) Tryptamine[0] <=> (1) Tryptamine[1] = = 0 2 cpd00318 OK 1 rxn32033;rxn32036 rxn32033 not.assessed +rxn32039 TR_met1157_c_m - (1) cpd00318[0] <=> (1) cpd00318[1] -1:cpd00318:0:0:"Tryptamine";1:cpd00318:1:0:"Tryptamine" 1 (1) cpd00318[0] <=> (1) cpd00318[1] (1) Tryptamine[0] <=> (1) Tryptamine[1] = = 0 2 cpd00318 OK 1 rxn32033;rxn32036 rxn32033 removed rxn32040 rxn1461_p RXN1F-347 (1) cpd03205[0] <=> (1) cpd14588[0] -1:cpd03205:0:0:"Phytoene";4:cpd00067:0:0:"H+";1:cpd14588:0:0:"9,9'-Di-cis-zeta-carotene" 0 (1) cpd03205[0] => (4) cpd00067[0] + (1) cpd14588[0] (1) Phytoene[0] => (4) H+[0] + (1) 9,9'-Di-cis-zeta-carotene[0] > > -12.68 1.97 cpd00067;cpd03205;cpd14588 CI:4 1 rxn31005 rxn31005 not.assessed rxn32041 TR_met1188_c_v - (1) cpd03221[0] <=> (1) cpd03221[1] -1:cpd03221:0:0:"Zymosterol";1:cpd03221:1:0:"Zymosterol" 1 (1) cpd03221[0] <=> (1) cpd03221[1] (1) Zymosterol[0] <=> (1) Zymosterol[1] = = 0 2 cpd03221 OK 1 rxn09649;rxn32038 rxn09649 approved rxn32042 TR_met140_c_p - (1) cpd00132[0] <=> (1) cpd00132[1] -1:cpd00132:0:0:"L-Asparagine";1:cpd00132:1:0:"L-Asparagine" 1 (1) cpd00132[0] <=> (1) cpd00132[1] (1) L-Asparagine[0] <=> (1) L-Asparagine[1] = = 0 2 cpd00132 OK 1 rxn05220;rxn08162;rxn32043 rxn05220 removed @@ -28388,7 +28388,7 @@ rxn32686 rxn1065_m 4-Hydroxycinnamyl aldehyde:NADP+ oxidoreductase (1) cpd00005[ rxn32687 rxn1065_r 4-Hydroxycinnamyl aldehyde:NADP+ oxidoreductase (1) cpd00005[0] + (1) cpd00192[0] <=> (1) cpd00006[0] + (1) cpd00010[0] + (1) cpd03332[0] -1:cpd00005:0:0:"NADPH";-1:cpd00067:0:0:"H+";-1:cpd00192:0:0:"4-Coumaroyl-CoA";1:cpd00006:0:0:"NADP";1:cpd00010:0:0:"CoA";1:cpd03332:0:0:"p-Coumaraldehyde" 0 (1) cpd00005[0] + (1) cpd00067[0] + (1) cpd00192[0] <=> (1) cpd00006[0] + (1) cpd00010[0] + (1) cpd03332[0] (1) NADPH[0] + (1) H+[0] + (1) 4-Coumaroyl-CoA[0] <=> (1) NADP[0] + (1) CoA[0] + (1) p-Coumaraldehyde[0] = = 4.05 1.52 cpd00005;cpd00006;cpd00010;cpd00067;cpd00192;cpd03332 OK 1 rxn01181;rxn32686;rxn32688 rxn01181 approved rxn32688 rxn1065_x 4-Hydroxycinnamyl aldehyde:NADP+ oxidoreductase (1) cpd00005[0] + (1) cpd00192[0] <=> (1) cpd00006[0] + (1) cpd00010[0] + (1) cpd03332[0] -1:cpd00005:0:0:"NADPH";-1:cpd00067:0:0:"H+";-1:cpd00192:0:0:"4-Coumaroyl-CoA";1:cpd00006:0:0:"NADP";1:cpd00010:0:0:"CoA";1:cpd03332:0:0:"p-Coumaraldehyde" 0 (1) cpd00005[0] + (1) cpd00067[0] + (1) cpd00192[0] <=> (1) cpd00006[0] + (1) cpd00010[0] + (1) cpd03332[0] (1) NADPH[0] + (1) H+[0] + (1) 4-Coumaroyl-CoA[0] <=> (1) NADP[0] + (1) CoA[0] + (1) p-Coumaraldehyde[0] = = 4.05 1.52 cpd00005;cpd00006;cpd00010;cpd00067;cpd00192;cpd03332 OK 1 rxn01181;rxn32686;rxn32687 rxn01181 approved rxn32689 TR_met970_c_x - (1) cpd02187[0] <=> (1) cpd02187[1] -1:cpd02187:0:0:"Methacrylyl-CoA";1:cpd02187:1:0:"Methacrylyl-CoA" 1 (1) cpd02187[0] <=> (1) cpd02187[1] (1) Methacrylyl-CoA[0] <=> (1) Methacrylyl-CoA[1] = = 0 2 cpd02187 OK 0 rxn32695 not.assessed -rxn32690 rxn186_p Aromatic-L-amino-acid decarboxylase (1) cpd00065[0] <=> (1) cpd00011[0] + (1) cpd00318[0] -1:cpd00065:0:0:"L-Tryptophan";-1:cpd00067:0:0:"H+";1:cpd00011:0:0:"CO2";1:cpd00318:0:0:"Tryptamine" 0 (1) cpd00065[0] + (1) cpd00067[0] => (1) cpd00011[0] + (1) cpd00318[0] (1) L-Tryptophan[0] + (1) H+[0] => (1) CO2[0] + (1) Tryptamine[0] > > -3.09 0.54 cpd00011;cpd00065;cpd00067;cpd00318 OK 1 rxn00484 rxn00484 approved +rxn32690 rxn186_p Aromatic-L-amino-acid decarboxylase (1) cpd00065[0] <=> (1) cpd00011[0] + (1) cpd00318[0] -1:cpd00065:0:0:"L-Tryptophan";-1:cpd00067:0:0:"H+";1:cpd00011:0:0:"CO2";1:cpd00318:0:0:"Tryptamine" 0 (1) cpd00065[0] + (1) cpd00067[0] => (1) cpd00011[0] + (1) cpd00318[0] (1) L-Tryptophan[0] + (1) H+[0] => (1) CO2[0] + (1) Tryptamine[0] > > -3.09 0.54 cpd00011;cpd00065;cpd00067;cpd00318 OK 1 rxn00484 rxn00484 removed rxn32691 TR_met695_c_x - (1) cpd22981[0] <=> (1) cpd22981[1] -1:cpd22981:0:0:"OPC8-3-ketoacyl-CoA";1:cpd22981:1:0:"OPC8-3-ketoacyl-CoA" 1 (1) cpd22981[0] <=> (1) cpd22981[1] (1) OPC8-3-ketoacyl-CoA[0] <=> (1) OPC8-3-ketoacyl-CoA[1] = = 0 2 cpd22981 OK 0 rxn32693 not.assessed rxn32692 rxn483_x NMN nucleosidase (1) cpd00001[0] + (1) cpd00355[0] <=> (1) cpd00101[0] + (1) cpd00133[0] -1:cpd00001:0:0:"H2O";-1:cpd00355:0:0:"Nicotinamide ribonucleotide";1:cpd00067:0:0:"H+";1:cpd00101:0:0:"ribose-5-phosphate";1:cpd00133:0:0:"Nicotinamide" 0 (1) cpd00001[0] + (1) cpd00355[0] => (1) cpd00067[0] + (1) cpd00101[0] + (1) cpd00133[0] (1) H2O[0] + (1) Nicotinamide ribonucleotide[0] => (1) H+[0] + (1) ribose-5-phosphate[0] + (1) Nicotinamide[0] > > -3.67 1.02 cpd00001;cpd00067;cpd00101;cpd00133;cpd00355 OK 1 rxn00940;rxn32698 rxn00940 approved rxn32693 TR_met695_c_m - (1) cpd22981[0] <=> (1) cpd22981[1] -1:cpd22981:0:0:"OPC8-3-ketoacyl-CoA";1:cpd22981:1:0:"OPC8-3-ketoacyl-CoA" 1 (1) cpd22981[0] <=> (1) cpd22981[1] (1) OPC8-3-ketoacyl-CoA[0] <=> (1) OPC8-3-ketoacyl-CoA[1] = = 0 2 cpd22981 OK 1 rxn32691 rxn32691 not.assessed @@ -30080,7 +30080,7 @@ rxn34407 R_SQDG18111Z160th sulfolipid transport (18:1(11Z)/16:0) (1) cpd30554[1] rxn34408 R_SQDG1819Z160th sulfolipid transport (18:1(9Z)/16:0) (1) cpd30556[1] <=> (1) cpd30556[0] -1:cpd30556:1:0:"Sulfoquinovosyldiacylglycerol (1-(9Z)-octadecenoyl,2-hexadecanoyl, 18:1(9Z)/16:0)";1:cpd30556:0:0:"Sulfoquinovosyldiacylglycerol (1-(9Z)-octadecenoyl,2-hexadecanoyl, 18:1(9Z)/16:0)" 1 (1) cpd30556[1] <=> (1) cpd30556[0] (1) Sulfoquinovosyldiacylglycerol (1-(9Z)-octadecenoyl,2-hexadecanoyl, 18:1(9Z)/16:0)[1] <=> (1) Sulfoquinovosyldiacylglycerol (1-(9Z)-octadecenoyl,2-hexadecanoyl, 18:1(9Z)/16:0)[0] = = 0 2 cpd30556 OK 0 not.assessed rxn34409 R_THRNA1th Neutral amino acid transporter (thr-L), chloroplast (1) cpd00161[0] + (1) cpd00971[0] <=> (1) cpd00161[1] + (1) cpd00971[1] -1:cpd00161:0:0:"L-Threonine";-1:cpd00971:0:0:"Na+";1:cpd00161:1:0:"L-Threonine";1:cpd00971:1:0:"Na+" 1 (1) cpd00161[0] + (1) cpd00971[0] <=> (1) cpd00161[1] + (1) cpd00971[1] (1) L-Threonine[0] + (1) Na+[0] <=> (1) L-Threonine[1] + (1) Na+[1] = = 0 2 cpd00161;cpd00971 OK 1 rxn09306;rxn10186;rxn34535 rxn09306 approved rxn34410 R_THRth Amino acid transporter (thr-L), chloroplast (1) cpd00161[0] <=> (1) cpd00161[1] -1:cpd00067:0:0:"H+";-1:cpd00161:0:0:"L-Threonine";1:cpd00067:1:0:"H+";1:cpd00161:1:0:"L-Threonine" 1 (1) cpd00067[0] + (1) cpd00161[0] <=> (1) cpd00067[1] + (1) cpd00161[1] (1) H+[0] + (1) L-Threonine[0] <=> (1) H+[1] + (1) L-Threonine[1] = = 0 2 cpd00067;cpd00161 OK 1 rxn05300;rxn09305;rxn09710 rxn05300 approved -rxn34411 R_TRPth Tryptophan permease, chloroplast (1) cpd00065[0] <=> (1) cpd00065[1] -1:cpd00065:0:0:"L-Tryptophan";-1:cpd00067:0:0:"H+";1:cpd00065:1:0:"L-Tryptophan";1:cpd00067:1:0:"H+" 1 (1) cpd00065[0] + (1) cpd00067[0] <=> (1) cpd00065[1] + (1) cpd00067[1] (1) L-Tryptophan[0] + (1) H+[0] <=> (1) L-Tryptophan[1] + (1) H+[1] = = 0 2 cpd00065;cpd00067 OK 1 rxn05663;rxn09326;rxn09709 rxn05663 approved +rxn34411 R_TRPth Tryptophan permease, chloroplast (1) cpd00065[0] <=> (1) cpd00065[1] -1:cpd00065:0:0:"L-Tryptophan";-1:cpd00067:0:0:"H+";1:cpd00065:1:0:"L-Tryptophan";1:cpd00067:1:0:"H+" 1 (1) cpd00065[0] + (1) cpd00067[0] <=> (1) cpd00065[1] + (1) cpd00067[1] (1) L-Tryptophan[0] + (1) H+[0] <=> (1) L-Tryptophan[1] + (1) H+[1] = = 0 2 cpd00065;cpd00067 OK 1 rxn05663;rxn09326;rxn09709 rxn05663 removed rxn34412 R_TSULth Thiosulfate porter, chloroplast (1) cpd00001[0] + (1) cpd00002[0] + (1) cpd00268[0] <=> (1) cpd00008[0] + (1) cpd00009[0] + (1) cpd00268[1] -1:cpd00001:0:0:"H2O";-1:cpd00002:0:0:"ATP";-1:cpd00268:0:0:"H2S2O3";1:cpd00008:0:0:"ADP";1:cpd00009:0:0:"Phosphate";1:cpd00067:0:0:"H+";1:cpd00268:1:0:"H2S2O3" 1 (1) cpd00001[0] + (1) cpd00002[0] + (1) cpd00268[0] => (1) cpd00008[0] + (1) cpd00009[0] + (1) cpd00067[0] + (1) cpd00268[1] (1) H2O[0] + (1) ATP[0] + (1) H2S2O3[0] => (1) ADP[0] + (1) Phosphate[0] + (1) H+[0] + (1) H2S2O3[1] > > -6.82 0.72 cpd00001;cpd00002;cpd00008;cpd00009;cpd00067;cpd00268 OK 0 rxn34536 not.assessed rxn34413 R_TYRth Tyrosine permease, chloroplast (1) cpd00069[0] <=> (1) cpd00069[1] -1:cpd00067:0:0:"H+";-1:cpd00069:0:0:"L-Tyrosine";1:cpd00067:1:0:"H+";1:cpd00069:1:0:"L-Tyrosine" 1 (1) cpd00067[0] + (1) cpd00069[0] <=> (1) cpd00067[1] + (1) cpd00069[1] (1) H+[0] + (1) L-Tyrosine[0] <=> (1) H+[1] + (1) L-Tyrosine[1] = = 0 2 cpd00067;cpd00069 OK 1 rxn05301;rxn09338;rxn09708;rxn09831;rxn13412 rxn05301 approved rxn34414 R_UDPGALth UDP-galactose:UMP antiporter, chloroplast (1) cpd00043[0] + (1) cpd00091[1] <=> (1) cpd00043[1] + (1) cpd00091[0] -1:cpd00043:0:0:"UDP-galactose";-1:cpd00091:1:0:"UMP";1:cpd00043:1:0:"UDP-galactose";1:cpd00091:0:0:"UMP" 1 (1) cpd00043[0] + (1) cpd00091[1] <=> (1) cpd00043[1] + (1) cpd00091[0] (1) UDP-galactose[0] + (1) UMP[1] <=> (1) UDP-galactose[1] + (1) UMP[0] = = 0 2 cpd00043;cpd00091 OK 0 not.assessed @@ -34878,3 +34878,5 @@ rxn44705 aryllactyl-CoA dehydratase (R)-3-(aryl)lactoyl-CoA dehydratase -1:cpd3 rxn46031 3-(aryl)acrylate reductase 3-(aryl)acrylate reductase -1:cpd00067:0:0:"H+";-1:cpd01202:0:0:"Phloretate";-1:cpd27005:0:0:"ETF-Oxidized";1:cpd00604:0:0:"4-Coumarate";1:cpd27006:0:0:"ETF-Reduced" 0 (1) cpd00067[0] + (1) cpd01202[0] + (1) cpd27005[0] <= (1) cpd00604[0] + (1) cpd27006[0] (1) H+[0] + (1) Phloretate[0] + (1) ETF-Oxidized[0] <= (1) 4-Coumarate[0] + (1) ETF-Reduced[0] < < 1e+07 1e+07 OK 0 Gapseq new corrected rxn90117 Phloretate-transport Phloretate-transport -1:cpd01202:0:0:"Phloretate";-1:cpd00067:0:0:"H+";1:cpd01202:1:0:"Phloretate";1:cpd00067:1:0:"H+" 0 (1) cpd01202[0] + (1) cpd00067[0] <=> (1) cpd01202[1] + (1) cpd00067[1] (1) Phloretate[0] + (1) H+[0] <=> (1) Phloretate[1] + (1) H+[1] = = 1e+07 1e+07 OK 0 Gapseq new corrected rxn41427 asd-S-transferase L-aspartate semialdehyde sulfurtransferase -3:cpd00067:0:0:"H+";-1:cpd00239:0:0:"H2S";-1:cpd00346:0:0:"L-Aspartate4-semialdehyde";-2:cpd11620:0:0:"Reducedferredoxin";1:cpd00001:0:0:"H2O";1:cpd00135:0:0:"Homocysteine";2:cpd11621:0:0:"Oxidizedferredoxin" 0 (3) cpd00067[0] + (1) cpd00239[0] + (1) cpd00346[0] + (2) cpd11620[0] => (1) cpd00001[0] + (1) cpd00135[0] + (2) cpd11621[0] (3) H+[0] + (1) H2S[0] + (1) L-Aspartate4-semialdehyde[0] + (2) Reducedferredoxin[0] => (1) H2O[0] + (1) Homocysteine[0] + (2) Oxidizedferredoxin[0] > > 1e+07 1e+07 OK 0 Gapseq new corrected +rxn90118 tryptamine-proton-antiporter Tryptamine transport via proton antiport -1:cpd00067:1:0:"H+";-1:cpd00318:0:0:"Tryptamine";1:cpd00318:1:0:"Tryptamine";1:cpd00067:0:0:"H+" 0 (1) cpd00067[1] + (1) cpd00318[0] <=> (1) cpd00318[1] + (1) cpd00067[0] (1) H+[1] + (1) Tryptamine[0] <=> (1) Tryptamine[1] + (1) H+[0] = = 1e+07 1e+07 OK 0 Gapseq new corrected +rxn90119 Tyramine-proton-antiporter Tyramine transport via proton antiport -1:cpd00067:1:0:"H+";-1:cpd00374:0:0:"Tyramine";1:cpd00374:1:0:"Tyramine";1:cpd00067:0:0:"H+" 0 (1) cpd00067[1] + (1) cpd00374[0] <=> (1) cpd00374[1] + (1) cpd00067[0] (1) H+[1] + (1) Tyramine[0] <=> (1) Tyramine[1] + (1) H+[0] = = 1e+07 1e+07 OK 0 Gapseq new corrected