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CHEBI:16015 ChEBI PW000980 PathWhiz 4444155 ChemSpider 30572 ChemSpider C23H38N7O17P3S Acetyl-CoA 809.1258 CHEBI:15603 ChEBI 937 ChemSpider 2-isopropylmalate synthase HMDB00491 HMDB C04236 KEGG Compound NADH HMDB12241 HMDB 5462261 PubChem-compound 439153 PubChem-compound SMILES O tyrosine aminotransferase 1.0 3-isopropylmalate dehydratase small subunit 50 ChemSpider 1.0 HMDB00148 HMDB C02504 KEGG Compound 5462259 PubChem-compound Branched-chain-amino-acid aminotransferase 3-isopropylmalate dehydratase large subunit NAD isopropylmalate isomerase branched-chain amino-acid aminotransferase 3-isopropylmalate dehydrogenase SMP00838 SMPDB 1.0 6816 PubChem-compound 51 PubChem-compound 46 ChemSpider CHEBI:15846 ChEBI 49601-06-1 CAS Secondary Metabolite: Leucine biosynthesis HMDB01206 HMDB 1.0 C02631 KEGG Compound SMILES CC(C)CC(=O)C(O)=O 1038 PubChem-compound CHEBI:48430 ChEBI HMDB59597 HMDB 274 ChemSpider C5H6O5 Oxoglutaric acid 146.02153 HMDB00902 HMDB C6H10O3 3-Methyl-2-oxovaleric acid 130.06299 CHEBI:16908 ChEBI Acetyl-CoA 1010 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 Aromatic-amino-acid aminotransferase 69 ChemSpider 70 PubChem-compound HMDB00695 HMDB HMDB01423 HMDB Hydrogen Ion 6106 PubChem-compound 3-isopropylmalate dehydrogenase C00233 KEGG Compound 5880 ChemSpider 58-68-4 CAS SMILES CCC(C)C(=O)C(O)=O L-Glutamic acid 3-isopropylmalate dehydratase small subunit SMILES OC(=O)CCC(=O)C(O)=O 124-38-9 CAS HMDB00208 HMDB CHEBI:30915 ChEBI 2-isopropylmalate synthase C00001 KEGG Compound 1460-34-0 CAS C7H10O5 2-Isopropyl-3-oxosuccinate 174.05283 1.0 CHEBI:35128 ChEBI LEU BioCyc C00004 KEGG Compound CHEBI:17275 ChEBI C00003 KEGG Compound C00123 KEGG Compound 3-Isopropylmalate C7H12O5 3-Isopropylmalate 176.06847 D-malate dehydrogenase [decarboxylating] GLT BioCyc 1.0 C21H28N7O14P2 NAD 664.11694 3-isopropylmalate dehydratase large subunit C00011 KEGG Compound SMILES O=C=O C00010 KEGG Compound 2-Isopropyl-3-oxosuccinate C21H29N7O14P2 NADH 665.12476 1.0 SMILES CC(C)C(=C\C(O)=O)\C(O)=O 47 PubChem-compound H Hydrogen Ion 1.007825 4444164 ChemSpider HMDB00687 HMDB 53-84-9 CAS C00026 KEGG Compound P09151 UniProt C00025 KEGG Compound C00024 KEGG Compound C6H10O3 Ketoleucine 130.06299 SubPathwayInteraction1728 SubPathwayReaction SubPathway1728Reaction 1.0 C7H12O5 2-Isopropylmalic acid 176.06847 P0A6A6 UniProt SMILES NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O Aromatic-amino-acid aminotransferase 5682 ChemSpider 5280523 PubChem-compound SMILES NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O 328-50-7 CAS CHEBI:1146900 ChEBI Water P0AB80 UniProt 4575349 ChemSpider 4575347 ChemSpider CO-A BioCyc 72-89-9 CAS 2.0 Coenzyme A C21H36N7O16P3S Coenzyme A 767.11523 P04693 UniProt 6557 ChemSpider D-malate dehydrogenase [decarboxylating] SMILES CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 7732-18-5 CAS CPD-9451 BioCyc 388299 ChemSpider C04411 KEGG Compound 2.6.1.42 false 2.6.1.42 Ketoleucine + L-Glutamic acid → L-Leucine + Oxoglutaric acid LEFT_TO_RIGHT Reaction2880 true 2-Isopropyl-3-oxosuccinate + Hydrogen Ion → Carbon dioxide + Ketoleucine LEFT_TO_RIGHT 1.0 ReactionCatalysis2837 ACTIVATION ReactionCatalysis2836 ACTIVATION 56-86-0 CAS CHEBI:1467 ChEBI 6.0 1.0 C5H9NO4 L-Glutamic acid 147.05316 33032 PubChem-compound P76251 UniProt HMDB00402 HMDB 1.0 CHEBI:16526 ChEBI ReactionCatalysis2838 ACTIVATION 2-Isopropylmalic acid 2.0 1.0 816-66-0 CAS 1.0 Ketoleucine ReactionCatalysis2842 ACTIVATION ReactionCatalysis2841 ACTIVATION ReactionCatalysis2844 ACTIVATION 5280533 PubChem-compound ReactionCatalysis2843 ACTIVATION CHEBI:35932 ChEBI L-Leucine 2K-4CH3-PENTANOATE BioCyc 1.1.1.85 false 1.1.1.85 3-Isopropylmalate + NAD → 2-Isopropyl-3-oxosuccinate + Hydrogen Ion + NADH LEFT_TO_RIGHT HMDB01967 HMDB 4.2.1.33 false 4.2.1.33 2-Isopropylmalic acid → Isopropylmaleate + Water LEFT_TO_RIGHT C6H13NO2 L-Leucine 131.09464 Reaction2877 false Isopropylmaleate + Water → 3-Isopropylmalate LEFT_TO_RIGHT 2.3.3.13 false 2.3.3.13 3-Methyl-2-oxovaleric acid + Acetyl-CoA + Water → 2-Isopropylmalic acid + Coenzyme A + Hydrogen Ion LEFT_TO_RIGHT 962 PubChem-compound P30126 UniProt P30125 UniProt 2-KETOGLUTARATE BioCyc 392413 ChemSpider 61-90-5 CAS 2-KETO-3-METHYL-VALERATE BioCyc 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE BioCyc CO2 Carbon dioxide 43.98983 Branched-chain-amino-acid aminotransferase C03465 KEGG Compound 5893 PubChem-compound HMDB02111 HMDB C00080 KEGG Compound C7H10O4 Isopropylmaleate 158.0579 PW000818 PathWhiz Oxoglutaric acid 1.0 3-Methyl-2-oxovaleric acid SMILES N[C@@H](CCC(O)=O)C(O)=O CHEBI:15377 ChEBI CHEBI:15378 ChEBI SMILES [H+] SMP00996 SMPDB CPD-7100 BioCyc 1.0 SMILES CC(C)[C@@](O)(CC(O)=O)C(O)=O 280 PubChem-compound SMILES CC(C)C[C@H](N)C(O)=O 921-28-8 CAS HMDB12156 HMDB HMDB01487 HMDB 444493 PubChem-compound ACETYL-COA BioCyc H2O Water 18.010565 Isopropylmaleate HMDB12149 HMDB NADH BioCyc NAD BioCyc 1.0 CHEBI:43468 ChEBI Carbon dioxide CHEBI:15351 ChEBI SMILES CC(C)[C@H](C(O)=O)C(=O)C(O)=O isoleucine biosynthesis SubPathway SMILES CC(C)[C@@H]([C@@H](O)C(O)=O)C(O)=O 3-isopropylmalate dehydrogenase 85-61-0 CAS 2- isopropylmalate synthase 3- isopropylmalate dehydratase large subunit 3- isopropylmalate dehydratase small subunit 3- isopropylmalate dehydratase large subunit 3- isopropylmalate dehydratase small subunit 3- isopropylmalate dehydrogenase D-malate dehydrogenase [decarboxylating] Branched- chain-amino- acid aminotransferase Aromatic- amino-acid aminotransferase 3-Methyl-2- oxovaleric acid H 2 O Acetyl-CoA CoA H + 2- Isopropylmalic acid H 2 O Isopropylmaleate H 2 O 3- Isopropylmalate NAD NADH H + 2-Isopropyl- 3- oxosuccinate H + CO 2 Ketoleucine L-Glutamic acid Oxoglutaric acid L-Leucine isoleucine biosynthesis
CHEBI:16015 ChEBI PW000980 PathWhiz 4444155 ChemSpider 30572 ChemSpider C23H38N7O17P3S Acetyl-CoA 809.1258 CHEBI:15603 ChEBI 937 ChemSpider 2-isopropylmalate synthase HMDB00491 HMDB C04236 KEGG Compound NADH HMDB12241 HMDB 5462261 PubChem-compound 439153 PubChem-compound SMILES O tyrosine aminotransferase 1.0 3-isopropylmalate dehydratase small subunit 50 ChemSpider 1.0 HMDB00148 HMDB C02504 KEGG Compound 5462259 PubChem-compound Branched-chain-amino-acid aminotransferase 3-isopropylmalate dehydratase large subunit NAD isopropylmalate isomerase branched-chain amino-acid aminotransferase 3-isopropylmalate dehydrogenase http://identifiers.org/smpdb/SMP00838 SMPDB 1.0 6816 PubChem-compound 51 PubChem-compound 46 ChemSpider CHEBI:15846 ChEBI 49601-06-1 CAS Secondary Metabolite: Leucine biosynthesis HMDB01206 HMDB 1.0 C02631 KEGG Compound SMILES CC(C)CC(=O)C(O)=O 1038 PubChem-compound CHEBI:48430 ChEBI HMDB59597 HMDB 274 ChemSpider C5H6O5 Oxoglutaric acid 146.02153 HMDB00902 HMDB C6H10O3 3-Methyl-2-oxovaleric acid 130.06299 CHEBI:16908 ChEBI Acetyl-CoA 1010 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 Aromatic-amino-acid aminotransferase 69 ChemSpider 70 PubChem-compound HMDB00695 HMDB HMDB01423 HMDB Hydrogen Ion 6106 PubChem-compound 3-isopropylmalate dehydrogenase C00233 KEGG Compound 5880 ChemSpider 58-68-4 CAS SMILES CCC(C)C(=O)C(O)=O L-Glutamic acid 3-isopropylmalate dehydratase small subunit SMILES OC(=O)CCC(=O)C(O)=O 124-38-9 CAS HMDB00208 HMDB CHEBI:30915 ChEBI 2-isopropylmalate synthase C00001 KEGG Compound 1460-34-0 CAS C7H10O5 2-Isopropyl-3-oxosuccinate 174.05283 1.0 CHEBI:35128 ChEBI LEU BioCyc C00004 KEGG Compound CHEBI:17275 ChEBI C00003 KEGG Compound C00123 KEGG Compound 3-Isopropylmalate C7H12O5 3-Isopropylmalate 176.06847 D-malate dehydrogenase [decarboxylating] GLT BioCyc 1.0 C21H28N7O14P2 NAD 664.11694 3-isopropylmalate dehydratase large subunit C00011 KEGG Compound SMILES O=C=O C00010 KEGG Compound 2-Isopropyl-3-oxosuccinate C21H29N7O14P2 NADH 665.12476 1.0 SMILES CC(C)C(=C\C(O)=O)\C(O)=O 47 PubChem-compound H Hydrogen Ion 1.007825 4444164 ChemSpider HMDB00687 HMDB 53-84-9 CAS C00026 KEGG Compound P09151 UniProt C00025 KEGG Compound C00024 KEGG Compound C6H10O3 Ketoleucine 130.06299 SubPathwayInteraction1728 SubPathwayReaction SubPathway1728Reaction 1.0 C7H12O5 2-Isopropylmalic acid 176.06847 P0A6A6 UniProt SMILES NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O Aromatic-amino-acid aminotransferase 5682 ChemSpider 5280523 PubChem-compound SMILES NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O 328-50-7 CAS CHEBI:1146900 ChEBI Water P0AB80 UniProt 4575349 ChemSpider 4575347 ChemSpider CO-A BioCyc 72-89-9 CAS 2.0 Coenzyme A C21H36N7O16P3S Coenzyme A 767.11523 P04693 UniProt 6557 ChemSpider isoleucine biosynthesis SubPathway D-malate dehydrogenase [decarboxylating] SMILES CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 7732-18-5 CAS CPD-9451 BioCyc 388299 ChemSpider C04411 KEGG Compound 2.6.1.42 false 2.6.1.42 Ketoleucine + L-Glutamic acid → L-Leucine + Oxoglutaric acid LEFT_TO_RIGHT Reaction2880 true 2-Isopropyl-3-oxosuccinate + Hydrogen Ion → Carbon dioxide + Ketoleucine LEFT_TO_RIGHT 1.0 ReactionCatalysis2837 ACTIVATION ReactionCatalysis2836 ACTIVATION 56-86-0 CAS CHEBI:1467 ChEBI 6.0 1.0 C5H9NO4 L-Glutamic acid 147.05316 33032 PubChem-compound P76251 UniProt HMDB00402 HMDB 1.0 CHEBI:16526 ChEBI ReactionCatalysis2838 ACTIVATION 2-Isopropylmalic acid 2.0 1.0 816-66-0 CAS 1.0 Ketoleucine ReactionCatalysis2842 ACTIVATION ReactionCatalysis2841 ACTIVATION ReactionCatalysis2844 ACTIVATION 5280533 PubChem-compound ReactionCatalysis2843 ACTIVATION CHEBI:35932 ChEBI L-Leucine 2K-4CH3-PENTANOATE BioCyc 1.1.1.85 false 1.1.1.85 3-Isopropylmalate + NAD → 2-Isopropyl-3-oxosuccinate + Hydrogen Ion + NADH LEFT_TO_RIGHT HMDB01967 HMDB 4.2.1.33 false 4.2.1.33 2-Isopropylmalic acid → Isopropylmaleate + Water LEFT_TO_RIGHT C6H13NO2 L-Leucine 131.09464 Reaction2877 false Isopropylmaleate + Water → 3-Isopropylmalate LEFT_TO_RIGHT 2.3.3.13 false 2.3.3.13 3-Methyl-2-oxovaleric acid + Acetyl-CoA + Water → 2-Isopropylmalic acid + Coenzyme A + Hydrogen Ion LEFT_TO_RIGHT 962 PubChem-compound P30126 UniProt P30125 UniProt 2-KETOGLUTARATE BioCyc 392413 ChemSpider 61-90-5 CAS 2-KETO-3-METHYL-VALERATE BioCyc 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE BioCyc CO2 Carbon dioxide 43.98983 Branched-chain-amino-acid aminotransferase C03465 KEGG Compound 5893 PubChem-compound HMDB02111 HMDB C00080 KEGG Compound C7H10O4 Isopropylmaleate 158.0579 PW000818 PathWhiz Oxoglutaric acid 1.0 3-Methyl-2-oxovaleric acid SMILES N[C@@H](CCC(O)=O)C(O)=O CHEBI:15377 ChEBI CHEBI:15378 ChEBI SMILES [H+] http://identifiers.org/smpdb/SMP00996 SMPDB CPD-7100 BioCyc 1.0 SMILES CC(C)[C@@](O)(CC(O)=O)C(O)=O 280 PubChem-compound SMILES CC(C)C[C@H](N)C(O)=O 921-28-8 CAS HMDB12156 HMDB HMDB01487 HMDB 444493 PubChem-compound ACETYL-COA BioCyc H2O Water 18.010565 Isopropylmaleate HMDB12149 HMDB NADH BioCyc NAD BioCyc 1.0 CHEBI:43468 ChEBI Carbon dioxide CHEBI:15351 ChEBI SMILES CC(C)[C@H](C(O)=O)C(=O)C(O)=O SMILES CC(C)[C@@H]([C@@H](O)C(O)=O)C(O)=O 3-isopropylmalate dehydrogenase 85-61-0 CAS leuA leuC leuD leuC leuD leuB dmlA ilvE tyrB 3-Methyl-2- oxovaleric acid Water Acetyl-CoA Coenzyme A Hydrogen Ion 2- Isopropylmalic acid Water Isopropylmaleate Water 3- Isopropylmalate NAD NADH Hydrogen Ion 2-Isopropyl- 3- oxosuccinate Hydrogen Ion Carbon dioxide Ketoleucine L-Glutamic acid Oxoglutaric acid L-Leucine isoleucine biosynthesis