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6022 PubChem-compound HMDB00019 HMDB 937 ChemSpider CYS BioCyc HMDB00250 HMDB HMDB01341 HMDB ReactionCatalysis5485 ACTIVATION P0ABQ0 UniProt 1.0 CHEBI:20506 ChEBI 6131 PubChem-compound CHEBI:16027 ChEBI HMDB01117 HMDB ATP BioCyc 18714427 ChemSpider 48 ChemSpider 559142 ChemSpider Tetrahydrofolic acid Coenzyme A biosynthesis bifunctional protein coaBC 5745 ChemSpider DEPHOSPHO-COA BioCyc 5742 ChemSpider 2-(5''-triphosphoribosyl)-3'-dephosphocoenzyme-A synthase L-ASPARTATE BioCyc CHEBI:17561 ChEBI CHEBI:16474 ChEBI C9H18NO8P D-4'-Phosphopantothenate 299.077 HMDB59597 HMDB 439175 PubChem-compound Ketol-acid reductoisomerase P31663 UniProt 5858 ChemSpider METHYLENE-THF BioCyc 1010 ChemSpider C00101 KEGG Compound 388463 ChemSpider SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS Pantothenate kinase PPI BioCyc 4-Phosphopantothenoylcysteine 63-37-6 CAS HMDB00210 HMDB BiologicalState108 HMDB00574 HMDB HMDB01423 HMDB 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA 1.0 PANTOTHENATE BioCyc 1.0 Hydrogen Ion HMDB00217 HMDB Dihydroxy-acid dehydratase Cytosol 1.0 SMILES CC(C)(COP(O)(O)=O)C(O)C(=O)NCCC(O)=O 2-dehydropantoate 2-reductase 1.0 Adenosine triphosphate 12.0 C12H23N2O9PS 4-Phosphopantothenoylcysteine 402.08618 3-methyl-2-oxobutanoate hydroxymethyltransferase HMDB00221 HMDB C00008 KEGG Compound C00006 KEGG Compound ADENINE BioCyc Hydrogen Ion CHEBI:18009 ChEBI C00001 KEGG Compound CTP BioCyc CHEBI:18361 ChEBI 3-methyl-2-oxobutanoate hydroxymethyltransferase C00005 KEGG Compound 135-16-0 CAS NADPH 388320 ChemSpider C00002 KEGG Compound Dephospho-CoA Reaction5525 false 2,3-Dihydroxyisovaleric acid ↔ 2 Alpha-ketoisovaleric acid + Water REVERSIBLE 1.0 Coenzyme A 44367445 PubChem-compound CHEBI:17361 ChEBI C00011 KEGG Compound C00010 KEGG Compound P0A790 UniProt C00013 KEGG Compound NAD(P) BioCyc 10.0 562 TAXONOMY H Hydrogen Ion 1.007825 HMDB01533 HMDB C26H46N7O26P5S 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA 1059.0901 pantothenate kinase 1.0 C00143 KEGG Compound 56-65-5 CAS C00141 KEGG Compound C00020 KEGG Compound 5653 ChemSpider Aspartate 1-decarboxylase C00147 KEGG Compound 4.1.1.36,6.3.2.5 false 4.1.1.36,6.3.2.5 Cytidine triphosphate + D-4'-Phosphopantothenate + L-Cysteine → 4-Phosphopantothenoylcysteine + Cytidine monophosphate + Hydrogen Ion + Pyrophosphate LEFT_TO_RIGHT 2.7.1.33 false 2.7.1.33 Adenosine triphosphate + Pantothenic acid → Adenosine diphosphate + D-4'-Phosphopantothenate + Hydrogen Ion LEFT_TO_RIGHT 6.3.2.1 false 6.3.2.1 (R)-pantoate + Adenosine triphosphate + Beta-Alanine → Adenosine monophosphate + Hydrogen Ion + Pantothenic acid + Pyrophosphate LEFT_TO_RIGHT 3432-99-3 CAS 1.1.1.169 false 1.1.1.169 2-dehydropantoate + Hydrogen Ion + NADPH → (R)-pantoate + NADP LEFT_TO_RIGHT SMP00013 SMPDB 1.0 NADP 2.7.1.24 false 2.7.1.24 Adenosine triphosphate + Dephospho-CoA → Adenosine diphosphate + Coenzyme A + Hydrogen Ion LEFT_TO_RIGHT Reaction3005 false 4-Phosphopantothenoylcysteine + Hydrogen Ion → 4'-phosphopantetheine + Carbon dioxide LEFT_TO_RIGHT 73-24-5 CAS 2.7.7.3 false 2.7.7.3 4'-phosphopantetheine + Adenosine triphosphate + Hydrogen Ion → Dephospho-CoA + Pyrophosphate LEFT_TO_RIGHT 79-83-4 CAS 52-90-4 CAS AMP BioCyc Water 1.0 SMILES NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O 2,3-Dihydroxyisovaleric acid 2.4.2.52 false 2.4.2.52 Adenosine triphosphate + Dephospho-CoA + Hydrogen Ion → 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA + Adenine LEFT_TO_RIGHT SMILES [O-]P([O-])(=O)OP([O-])([O-])=O Cysteine Metabolism SubPathway Aspartate metabolism SubPathway 4.0 Valine Biosynthesis SubPathway C00049 KEGG Compound Aspartate 1-decarboxylase SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O SubPathwayInteraction1183 SubPathway1183Reaction SubPathwayReaction SubPathwayInteraction1182 SubPathway1182Reaction SubPathwayReaction SMILES NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Coenzyme A biosynthesis bifunctional protein coaBC SubPathwayInteraction1180 SubPathway1180Reaction SubPathwayReaction HMDB00538 HMDB 5901 ChemSpider Pantothenic acid (R)-pantoate C00055 KEGG Compound 7732-18-5 CAS 61-19-8 CAS SMILES NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 C00063 KEGG Compound L-Cysteine SubPathwayOutput 5,10-Methylene-THF C5H10O4 2,3-Dihydroxyisovaleric acid 134.0579 P05793 UniProt P05791 UniProt C10H16N5O13P3 Adenosine triphosphate 506.99576 CHEBI:17053 ChEBI phosphopantetheine adenylyltransferase ReactionCatalysis2965 ACTIVATION 65-47-4 CAS ReactionCatalysis2964 ACTIVATION ReactionCatalysis2967 ACTIVATION ReactionCatalysis2966 ACTIVATION ReactionCatalysis2969 ACTIVATION ReactionCatalysis2968 ACTIVATION HMDB01967 HMDB HMDB01846 HMDB SMILES NCCC(O)=O 962 PubChem-compound 5800 ChemSpider CO2 Carbon dioxide 43.98983 CHEBI:11561 ChEBI CMP BioCyc C00080 KEGG Compound Alpha-ketoisovaleric acid PW000812 PathWhiz SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS 6176 PubChem-compound 58-64-0 CAS 2.0 963 ChemSpider Pantothenate synthetase CHEBI:57966 ChEBI 4'-phosphopantetheine 2-(5''-triphosphoribosyl)-3'-dephosphocoenzyme-A synthase C4H7NO4 L-Aspartic acid 133.0375 fused 4'-phosphopantothenoylcysteine decarboxylase and phosphopantothenoylcysteine synthetase Alpha-ketoisovaleric acid 644102 PubChem-compound C3H7NO2S L-Cysteine 121.01975 988 PubChem-compound 5941 ChemSpider 6083 PubChem-compound C00099 KEGG Compound C00097 KEGG Compound C03492 KEGG Compound L-Aspartic acid 22833512 PubChem-compound 2.0 Pantothenate and CoA Biosynthesis 1.0 1.0 H2O Water 18.010565 SMILES CC(C)(CO)C(=O)C([O-])=O SMILES NCCC(O)=O SMILES CC(C(=O)NCCC(=O)NCCS)C(C)(C)COP([O-])([O-])=O 1.0 SMILES CC(C)(CO)C(O)C([O-])=O 56-84-8 CAS 1.0 C04352 KEGG Compound SMILES [H][C@@]12CN(CN1C1=C(NC2)N=C(N)NC1=O)C1=CC=C(C=C1)C(=O)NC(CCC(O)=O)C(O)=O CHEBI:15905 ChEBI 1.0 P0A6I6 UniProt 7196-09-0 CAS 17215925 ChemSpider P0A6I9 UniProt SMILES N[C@@H](CS)C(O)=O 1.0 2-dehydropantoate Adenosine monophosphate 1.0 SMILES O SMILES CC(C)(O)C(O)C(O)=O 2-dehydropantoate 2-reductase C10H14N5O7P Adenosine monophosphate 347.06308 P0A6I3 UniProt 6.0 C3H7NO2 Beta-alanine 89.047676 C6H9O4 2-dehydropantoate 145.05008 C6H11O4 (R)-pantoate 147.06628 C12H23N2O6PS 4'-phosphopantetheine 354.10254 SMP00832 SMPDB 239 PubChem-compound 1.0 128 ChemSpider 1.0 6816 PubChem-compound 2.0 ADP BioCyc C3H7NO2 Beta-Alanine 89.047676 SMP00848 SMPDB 53-59-8 CAS 1038 PubChem-compound R-4-PHOSPHOPANTOTHENOYL-L-CYSTEINE BioCyc GO:0005829 GENE ONTOLOGY 759-05-7 CAS C19H23N7O6 Tetrahydrofolic acid 445.171 dihydroxy acid dehydratase 274 ChemSpider aspartate 1-decarboxylase C5H8O3 Alpha-ketoisovaleric acid 116.04734 1.0 Pyrophosphate C9H17NO5 Pantothenic acid 219.11067 5862 PubChem-compound 131 PubChem-compound Cytidine monophosphate Adenine 2-KETO-ISOVALERATE BioCyc C21H30N7O17P3 NADPH 745.0911 C5H5N5 Adenine 135.05449 C21H29N7O17P3 NADP 744.08325 PW000828 PathWhiz THF BioCyc P31057 UniProt NADPH BioCyc PW000787 PathWhiz Carbon dioxide 25203684 PubChem-compound SMILES NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)N2)N1 ReactionCatalysis2973 ACTIVATION 4-P-PANTOTHENATE BioCyc SMILES CC(C)(CO)C(O)C(=O)NCCC(O)=O SMILES CC(C)C(=O)C(O)=O 124-38-9 CAS Dephospho-CoA ReactionCatalysis2970 ACTIVATION ReactionCatalysis2972 ACTIVATION ReactionCatalysis2971 ACTIVATION 677 PubChem-compound SMILES NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O C20H23N7O6 5,10-Methylene-THF 457.171 SMILES NC(=O)C1=CN(C=CC1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](OP(O)(O)=O)[C@H]2O)N2C=NC3=C(N)N=CN=C23)[C@H](O)[C@@H]1O SMILES NC1=C2NC=NC2=NC=N1 CHEBI:15769 ChEBI 107-95-9 CAS 53-57-6 CAS 49 PubChem-compound 1.0 SMP00809 SMPDB SMILES O=C=O CHEBI:15980 ChEBI Phosphopantetheine adenylyltransferase O7P2 Pyrophosphate 173.91193 234 ChemSpider 5957 PubChem-compound C9H16N3O14P3 Cytidine triphosphate 482.9845 CHEBI:16708 ChEBI CHEBI:15636 ChEBI Adenosine triphosphate C10H15N5O10P2 Adenosine diphosphate 427.02942 GO:0005737 GENE ONTOLOGY SMILES N[C@@H](CC(O)=O)C(O)=O CHEBI:16958 ChEBI CHEBI:61723 ChEBI C9H14N3O8P Cytidine monophosphate 323.05185 CHEBI:15689 ChEBI Dephospho-CoA kinase Dephospho-CoA kinase HMDB00095 HMDB Pantothenate kinase 3633-59-8 CAS 440304 PubChem-compound Phosphopantetheine adenylyltransferase CHEBI:16530 ChEBI CHEBI:1146900 ChEBI 1.0 1.0 14000-31-8 CAS CO-A BioCyc Dihydroxy-acid dehydratase 5675 ChemSpider B-ALANINE BioCyc pantothenate synthetase Ketol-acid reductoisomerase C21H36N7O16P3S Coenzyme A 767.11523 3-methyl-2-oxobutanoate hydroxymethyltransferase Adenosine diphosphate Cytoplasm 1.0 ReactionCatalysis5413 ACTIVATION CHEBI:7916 ChEBI P77231 UniProt Pantothenate synthetase CHEBI:15422 ChEBI 6557 ChemSpider 1.0 HMDB00191 HMDB 1.0 439335 PubChem-compound C21H35N7O13P2S Dephospho-CoA 687.14886 Water P0A9J4 UniProt C00864 KEGG Compound CHEBI:16526 ChEBI HMDB00082 HMDB 389278 ChemSpider CHEBI:16761 ChEBI Beta-Alanine 2.1.2.11 false 2.1.2.11 5,10-Methylene-THF + Alpha-ketoisovaleric acid + Water → 2-dehydropantoate + Tetrahydrofolic acid LEFT_TO_RIGHT 4.1.1.11 false 4.1.1.11 Hydrogen Ion + L-Aspartic acid ? Beta-alanine + Carbon dioxide 1.0 HMDB00056 HMDB HMDB02111 HMDB PW000018 PathWhiz CHEBI:15377 ChEBI CHEBI:17677 ChEBI L-Cysteine CHEBI:15378 ChEBI SMILES [H+] SMILES [H][C@](O)(C(O)=NCCC(O)=NCCS)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O[C@]2([H])O[C@]([H])(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@]([H])(O)[C@@]2([H])O)[C@]1([H])O SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O 5886 PubChem-compound 1.0 C00882 KEGG Compound 2.0 1.0 280 PubChem-compound HMDB00034 HMDB Beta-alanine 1.0 CHEBI:15468 ChEBI Cytidine triphosphate D-4'-Phosphopantothenate 1.0 SMILES CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O 190 PubChem-compound 1.0 HMDB00045 HMDB 1.0 HMDB01016 HMDB HMDB01373 HMDB 1.0 acetohydroxy acid isomeroreductase 185 ChemSpider 13781857 PubChem-compound 85-61-0 CAS 8.0 Aspartate 1-decarboxylase 3-methyl-2- oxobutanoate hydroxymethyltransferase 2- dehydropantoate 2-reductase Pantothenate synthetase Pantothenate kinase Coenzyme A biosynthesis bifunctional protein coaBC Coenzyme A biosynthesis bifunctional protein coaBC Phosphopantetheine adenylyltransferase Dephospho-CoA kinase 2-(5''- triphosphoribosyl)- 3'- dephosphocoenzyme- A synthase Dihydroxy-acid dehydratase L-Aspartic acid H + CO 2 Beta-alanine Alpha- ketoisovaleric acid 5,10- Methylene-THF H 2 O Tetrahydrofolic acid 2- dehydropantoate NADPH H + NADP (R)-pantoate Beta-Alanine ATP AMP PP i H + Pantothenic acid ATP ADP H + D-4'- Phosphopantothenate Cytidine triphosphate L-Cysteine Cytidine monophosphate PP i H + 4- Phosphopantothenoylcysteine H + CO 2 4'- phosphopantetheine ATP H + PP i Dephospho-CoA ATP H + ADP Coenzyme A ATP H + Adenine 2'-(5- Triphosphoribosyl)- 3'-dephospho- CoA 2,3- Dihydroxyisovaleric acid H 2 O Valine Biosynthesis Aspartate metabolism Ketol-acid reductoisomerase
6022 PubChem-compound HMDB00019 HMDB 937 ChemSpider CYS BioCyc HMDB00250 HMDB HMDB01341 HMDB ReactionCatalysis5485 ACTIVATION P0ABQ0 UniProt 1.0 CHEBI:20506 ChEBI 6131 PubChem-compound CHEBI:16027 ChEBI HMDB01117 HMDB ATP BioCyc 18714427 ChemSpider 48 ChemSpider 559142 ChemSpider Tetrahydrofolic acid Coenzyme A biosynthesis bifunctional protein coaBC 5745 ChemSpider DEPHOSPHO-COA BioCyc 5742 ChemSpider 2-(5''-triphosphoribosyl)-3'-dephosphocoenzyme-A synthase L-ASPARTATE BioCyc CHEBI:17561 ChEBI CHEBI:16474 ChEBI C9H18NO8P D-4'-Phosphopantothenate 299.077 HMDB59597 HMDB 439175 PubChem-compound Ketol-acid reductoisomerase P31663 UniProt 5858 ChemSpider METHYLENE-THF BioCyc 1010 ChemSpider C00101 KEGG Compound 388463 ChemSpider SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS Pantothenate kinase PPI BioCyc 4-Phosphopantothenoylcysteine 63-37-6 CAS HMDB00210 HMDB BiologicalState108 Escherichia coli, Cytosol HMDB00574 HMDB HMDB01423 HMDB 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA 1.0 PANTOTHENATE BioCyc 1.0 Hydrogen Ion HMDB00217 HMDB Dihydroxy-acid dehydratase Cytosol 1.0 SMILES CC(C)(COP(O)(O)=O)C(O)C(=O)NCCC(O)=O 2-dehydropantoate 2-reductase 1.0 Adenosine triphosphate 12.0 C12H23N2O9PS 4-Phosphopantothenoylcysteine 402.08618 3-methyl-2-oxobutanoate hydroxymethyltransferase HMDB00221 HMDB C00008 KEGG Compound C00006 KEGG Compound ADENINE BioCyc Hydrogen Ion CHEBI:18009 ChEBI C00001 KEGG Compound CTP BioCyc CHEBI:18361 ChEBI 3-methyl-2-oxobutanoate hydroxymethyltransferase C00005 KEGG Compound 135-16-0 CAS NADPH 388320 ChemSpider C00002 KEGG Compound Dephospho-CoA Reaction5525 false 2,3-Dihydroxyisovaleric acid ↔ 2 Alpha-ketoisovaleric acid + Water REVERSIBLE 1.0 Coenzyme A 44367445 PubChem-compound CHEBI:17361 ChEBI C00011 KEGG Compound C00010 KEGG Compound P0A790 UniProt C00013 KEGG Compound NAD(P) BioCyc 10.0 562 TAXONOMY H Hydrogen Ion 1.007825 HMDB01533 HMDB C26H46N7O26P5S 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA 1059.0901 pantothenate kinase 1.0 C00143 KEGG Compound 56-65-5 CAS C00141 KEGG Compound C00020 KEGG Compound 5653 ChemSpider Aspartate 1-decarboxylase C00147 KEGG Compound 4.1.1.36,6.3.2.5 false 4.1.1.36,6.3.2.5 Cytidine triphosphate + D-4'-Phosphopantothenate + L-Cysteine → 4-Phosphopantothenoylcysteine + Cytidine monophosphate + Hydrogen Ion + Pyrophosphate LEFT_TO_RIGHT 2.7.1.33 false 2.7.1.33 Adenosine triphosphate + Pantothenic acid → Adenosine diphosphate + D-4'-Phosphopantothenate + Hydrogen Ion LEFT_TO_RIGHT 6.3.2.1 false 6.3.2.1 (R)-pantoate + Adenosine triphosphate + Beta-Alanine → Adenosine monophosphate + Hydrogen Ion + Pantothenic acid + Pyrophosphate LEFT_TO_RIGHT 3432-99-3 CAS 1.1.1.169 false 1.1.1.169 2-dehydropantoate + Hydrogen Ion + NADPH → (R)-pantoate + NADP LEFT_TO_RIGHT http://identifiers.org/smpdb/SMP00013 SMPDB 1.0 NADP 2.7.1.24 false 2.7.1.24 Adenosine triphosphate + Dephospho-CoA → Adenosine diphosphate + Coenzyme A + Hydrogen Ion LEFT_TO_RIGHT Reaction3005 false 4-Phosphopantothenoylcysteine + Hydrogen Ion → 4'-phosphopantetheine + Carbon dioxide LEFT_TO_RIGHT 73-24-5 CAS 2.7.7.3 false 2.7.7.3 4'-phosphopantetheine + Adenosine triphosphate + Hydrogen Ion → Dephospho-CoA + Pyrophosphate LEFT_TO_RIGHT 79-83-4 CAS 52-90-4 CAS AMP BioCyc Water 1.0 SMILES NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O 2,3-Dihydroxyisovaleric acid 2.4.2.52 false 2.4.2.52 Adenosine triphosphate + Dephospho-CoA + Hydrogen Ion → 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA + Adenine LEFT_TO_RIGHT SMILES [O-]P([O-])(=O)OP([O-])([O-])=O 4.0 C00049 KEGG Compound Aspartate 1-decarboxylase SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O SubPathwayInteraction1183 SubPathway1183Reaction SubPathwayReaction SubPathwayInteraction1182 SubPathway1182Reaction SubPathwayReaction SMILES NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Coenzyme A biosynthesis bifunctional protein coaBC SubPathwayInteraction1180 SubPathway1180Reaction SubPathwayReaction HMDB00538 HMDB 5901 ChemSpider Pantothenic acid (R)-pantoate C00055 KEGG Compound 7732-18-5 CAS 61-19-8 CAS SMILES NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 C00063 KEGG Compound L-Cysteine SubPathwayOutput 5,10-Methylene-THF C5H10O4 2,3-Dihydroxyisovaleric acid 134.0579 P05793 UniProt P05791 UniProt C10H16N5O13P3 Adenosine triphosphate 506.99576 CHEBI:17053 ChEBI phosphopantetheine adenylyltransferase ReactionCatalysis2965 ACTIVATION 65-47-4 CAS ReactionCatalysis2964 ACTIVATION ReactionCatalysis2967 ACTIVATION ReactionCatalysis2966 ACTIVATION ReactionCatalysis2969 ACTIVATION ReactionCatalysis2968 ACTIVATION HMDB01967 HMDB HMDB01846 HMDB SMILES NCCC(O)=O 962 PubChem-compound 5800 ChemSpider CO2 Carbon dioxide 43.98983 CHEBI:11561 ChEBI CMP BioCyc C00080 KEGG Compound Alpha-ketoisovaleric acid PW000812 PathWhiz SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS 6176 PubChem-compound 58-64-0 CAS 2.0 963 ChemSpider Pantothenate synthetase CHEBI:57966 ChEBI 4'-phosphopantetheine 2-(5''-triphosphoribosyl)-3'-dephosphocoenzyme-A synthase C4H7NO4 L-Aspartic acid 133.0375 fused 4'-phosphopantothenoylcysteine decarboxylase and phosphopantothenoylcysteine synthetase Alpha-ketoisovaleric acid 644102 PubChem-compound C3H7NO2S L-Cysteine 121.01975 988 PubChem-compound 5941 ChemSpider 6083 PubChem-compound C00099 KEGG Compound C00097 KEGG Compound C03492 KEGG Compound L-Aspartic acid 22833512 PubChem-compound 2.0 Pantothenate and CoA Biosynthesis 1.0 1.0 H2O Water 18.010565 SMILES CC(C)(CO)C(=O)C([O-])=O SMILES NCCC(O)=O SMILES CC(C(=O)NCCC(=O)NCCS)C(C)(C)COP([O-])([O-])=O 1.0 SMILES CC(C)(CO)C(O)C([O-])=O 56-84-8 CAS 1.0 C04352 KEGG Compound SMILES [H][C@@]12CN(CN1C1=C(NC2)N=C(N)NC1=O)C1=CC=C(C=C1)C(=O)NC(CCC(O)=O)C(O)=O CHEBI:15905 ChEBI 1.0 P0A6I6 UniProt 7196-09-0 CAS 17215925 ChemSpider P0A6I9 UniProt SMILES N[C@@H](CS)C(O)=O 1.0 2-dehydropantoate Adenosine monophosphate 1.0 SMILES O SMILES CC(C)(O)C(O)C(O)=O 2-dehydropantoate 2-reductase C10H14N5O7P Adenosine monophosphate 347.06308 P0A6I3 UniProt 6.0 C3H7NO2 Beta-alanine 89.047676 C6H9O4 2-dehydropantoate 145.05008 C6H11O4 (R)-pantoate 147.06628 C12H23N2O6PS 4'-phosphopantetheine 354.10254 http://identifiers.org/smpdb/SMP00832 SMPDB 239 PubChem-compound 1.0 128 ChemSpider 1.0 6816 PubChem-compound 2.0 ADP BioCyc C3H7NO2 Beta-Alanine 89.047676 http://identifiers.org/smpdb/SMP00848 SMPDB 53-59-8 CAS 1038 PubChem-compound Cysteine Metabolism SubPathway R-4-PHOSPHOPANTOTHENOYL-L-CYSTEINE BioCyc GO:0005829 GENE ONTOLOGY 759-05-7 CAS C19H23N7O6 Tetrahydrofolic acid 445.171 dihydroxy acid dehydratase 274 ChemSpider aspartate 1-decarboxylase C5H8O3 Alpha-ketoisovaleric acid 116.04734 1.0 Pyrophosphate C9H17NO5 Pantothenic acid 219.11067 5862 PubChem-compound 131 PubChem-compound Cytidine monophosphate Adenine 2-KETO-ISOVALERATE BioCyc C21H30N7O17P3 NADPH 745.0911 C5H5N5 Adenine 135.05449 C21H29N7O17P3 NADP 744.08325 PW000828 PathWhiz THF BioCyc Aspartate metabolism SubPathway P31057 UniProt NADPH BioCyc PW000787 PathWhiz Carbon dioxide 25203684 PubChem-compound SMILES NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)N2)N1 ReactionCatalysis2973 ACTIVATION 4-P-PANTOTHENATE BioCyc SMILES CC(C)(CO)C(O)C(=O)NCCC(O)=O SMILES CC(C)C(=O)C(O)=O 124-38-9 CAS Dephospho-CoA ReactionCatalysis2970 ACTIVATION ReactionCatalysis2972 ACTIVATION ReactionCatalysis2971 ACTIVATION 677 PubChem-compound SMILES NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O C20H23N7O6 5,10-Methylene-THF 457.171 SMILES NC(=O)C1=CN(C=CC1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](OP(O)(O)=O)[C@H]2O)N2C=NC3=C(N)N=CN=C23)[C@H](O)[C@@H]1O SMILES NC1=C2NC=NC2=NC=N1 CHEBI:15769 ChEBI 107-95-9 CAS 53-57-6 CAS 49 PubChem-compound 1.0 http://identifiers.org/smpdb/SMP00809 SMPDB SMILES O=C=O CHEBI:15980 ChEBI Phosphopantetheine adenylyltransferase O7P2 Pyrophosphate 173.91193 234 ChemSpider 5957 PubChem-compound C9H16N3O14P3 Cytidine triphosphate 482.9845 CHEBI:16708 ChEBI CHEBI:15636 ChEBI Adenosine triphosphate C10H15N5O10P2 Adenosine diphosphate 427.02942 GO:0005737 GENE ONTOLOGY SMILES N[C@@H](CC(O)=O)C(O)=O CHEBI:16958 ChEBI CHEBI:61723 ChEBI C9H14N3O8P Cytidine monophosphate 323.05185 CHEBI:15689 ChEBI Dephospho-CoA kinase Dephospho-CoA kinase HMDB00095 HMDB Pantothenate kinase 3633-59-8 CAS 440304 PubChem-compound Phosphopantetheine adenylyltransferase CHEBI:16530 ChEBI CHEBI:1146900 ChEBI 1.0 1.0 14000-31-8 CAS CO-A BioCyc Dihydroxy-acid dehydratase 5675 ChemSpider B-ALANINE BioCyc pantothenate synthetase Ketol-acid reductoisomerase C21H36N7O16P3S Coenzyme A 767.11523 3-methyl-2-oxobutanoate hydroxymethyltransferase Adenosine diphosphate Cytoplasm 1.0 ReactionCatalysis5413 ACTIVATION CHEBI:7916 ChEBI P77231 UniProt Valine Biosynthesis SubPathway Pantothenate synthetase CHEBI:15422 ChEBI 6557 ChemSpider 1.0 HMDB00191 HMDB 1.0 439335 PubChem-compound C21H35N7O13P2S Dephospho-CoA 687.14886 Water P0A9J4 UniProt C00864 KEGG Compound CHEBI:16526 ChEBI HMDB00082 HMDB 389278 ChemSpider CHEBI:16761 ChEBI Beta-Alanine 2.1.2.11 false 2.1.2.11 5,10-Methylene-THF + Alpha-ketoisovaleric acid + Water → 2-dehydropantoate + Tetrahydrofolic acid LEFT_TO_RIGHT 4.1.1.11 false 4.1.1.11 Hydrogen Ion + L-Aspartic acid ? Beta-alanine + Carbon dioxide 1.0 HMDB00056 HMDB HMDB02111 HMDB PW000018 PathWhiz CHEBI:15377 ChEBI CHEBI:17677 ChEBI L-Cysteine CHEBI:15378 ChEBI SMILES [H+] SMILES [H][C@](O)(C(O)=NCCC(O)=NCCS)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O[C@]2([H])O[C@]([H])(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@]([H])(O)[C@@]2([H])O)[C@]1([H])O SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O 5886 PubChem-compound 1.0 C00882 KEGG Compound 2.0 1.0 280 PubChem-compound HMDB00034 HMDB Beta-alanine 1.0 CHEBI:15468 ChEBI Cytidine triphosphate D-4'-Phosphopantothenate 1.0 SMILES CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O 190 PubChem-compound 1.0 HMDB00045 HMDB 1.0 HMDB01016 HMDB HMDB01373 HMDB 1.0 acetohydroxy acid isomeroreductase 185 ChemSpider 13781857 PubChem-compound 85-61-0 CAS 8.0