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HMDB00254 HMDB C23H38N7O17P3S Acetyl-CoA 809.1258 C4H4O5 Oxalacetic acid 132.00587 937 ChemSpider Malate synthase G Aconitate hydratase 1 C00311 KEGG Compound Succinic acid CHEBI:30797 ChEBI NADH direct_interaction cis-Aconitic acid 439153 PubChem-compound 1.0 SMILES O CIT BioCyc Reaction2588 false Acetyl-CoA + Oxalacetic acid + Water → Citric acid + Coenzyme A + Hydrogen Ion LEFT_TO_RIGHT 4.2.1.3 false 4.2.1.3 Citric acid → Water + cis-Aconitic acid LEFT_TO_RIGHT Secondary Metabolites: Glyoxylate cycle 1.0 NAD 1.0 OXALACETIC_ACID BioCyc 6816 PubChem-compound 328-42-7 CAS SMILES O[C@@H](CC(O)=O)C(O)=O PW000967 PathWhiz 44 ChemSpider Reaction5164 true cis-Aconitic acid → trans-Aconitic acid LEFT_TO_RIGHT CHEBI:15846 ChEBI C6H8O7 Isocitric acid 192.02701 HMDB01206 HMDB 1.0 1038 PubChem-compound Uncharacterized protein ybhJ 4.2.1.3 false 4.2.1.3 Water + cis-Aconitic acid ↔ Isocitric acid REVERSIBLE ReactionCatalysis2558 ACTIVATION ReactionCatalysis2559 ACTIVATION HMDB59597 HMDB P36683 UniProt HMDB00902 HMDB 97-67-6 CAS CHEBI:16908 ChEBI Isocitrate lyase Acetyl-CoA Oxalacetic acid 945 ChemSpider 77-92-9 CAS 558863 ChemSpider 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 CHEBI:30769 ChEBI CHEBI:30887 ChEBI 1.0 HMDB00119 HMDB ReactionCatalysis2560 ACTIVATION HMDB01423 HMDB 643757 PubChem-compound Hydrogen Ion 1161 ChemSpider SUC BioCyc 58-68-4 CAS ReactionCatalysis2613 ACTIVATION C2H2O3 Glyoxylic acid 74.0004 HMDB00223 HMDB CPD-225 BioCyc C00001 KEGG Compound trans-Aconitic acid C00004 KEGG Compound C00003 KEGG Compound 2.0 CHEBI:15741 ChEBI C21H28N7O14P2 NAD 664.11694 C00010 KEGG Compound 1110 PubChem-compound Glyoxylic acid P25516 UniProt 1.0 C21H29N7O14P2 NADH 665.12476 malate dehydrogenase C4H6O4 Succinic acid 118.02661 45 PubChem-compound C6H6O6 cis-Aconitic acid 174.01643 320-77-4 CAS H Hydrogen Ion 1.007825 threo-d(s)-iso-citrate BioCyc C00149 KEGG Compound Uncharacterized protein ybhJ 53-84-9 CAS C00024 KEGG Compound Citric acid SMILES OC(C(CC(O)=O)C(O)=O)C(O)=O 298-12-4 CAS P75764 UniProt C6H8O7 Citric acid 192.02701 1.0 P0A9G6 UniProt HMDB00094 HMDB 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 19782904 PubChem-compound 760 PubChem-compound CHEBI:16891 ChEBI C00158 KEGG Compound C00036 KEGG Compound 5682 ChemSpider 2.3.3.9 false 2.3.3.9 Acetyl-CoA + Glyoxylic acid + Water → Coenzyme A + Hydrogen Ion + L-Malic acid LEFT_TO_RIGHT 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 CHEBI:1146900 ChEBI 80-69-3 CAS Water SMILES OC(=O)CCC(O)=O 1.1.1.37 false 1.1.1.37 L-Malic acid + NAD → Hydrogen Ion + NADH + Oxalacetic acid LEFT_TO_RIGHT SMILES OC(=O)C\C(=C\C(O)=O)C(O)=O 4.1.3.1 false 4.1.3.1 Isocitric acid ↔ Glyoxylic acid + Succinic acid REVERSIBLE CO-A BioCyc 222656 PubChem-compound Citrate synthase monomer C00042 KEGG Compound 1078 ChemSpider 72-89-9 CAS C02341 KEGG Compound C00048 KEGG Compound Coenzyme A SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O C21H36N7O16P3S Coenzyme A 767.11523 ReactionCatalysis2946 ACTIVATION 4023-65-8 CAS C6H6O6 trans-Aconitic acid 174.01643 CHEBI:16513 ChEBI 6557 ChemSpider HMDB00072 HMDB HMDB00193 HMDB 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 444212 PubChem-compound SMILES OC(=O)CC(=O)C(O)=O 7732-18-5 CAS 388299 ChemSpider GLYOX BioCyc Malate dehydrogenase Aconitate hydratase 2 isocitrate lyase C3H4O5 Hydroxypropanedioic acid 120.005875 1.0 1.0 305 ChemSpider Aconitate hydratase 1 Malate synthase G aconitate hydratase 392201 ChemSpider 962 PubChem-compound 2.0 392413 ChemSpider 6.0 Hydroxypropanedioic acid 1.0 SMILES OC(=O)C\C(=C/C(O)=O)C(O)=O 5893 PubChem-compound HMDB02111 HMDB C00080 KEGG Compound 110-15-6 CAS SMP00983 SMPDB ReactionCatalysis5842 ACTIVATION CHEBI:15377 ChEBI 4.0 SMILES OC(C(O)=O)C(O)=O CHEBI:15378 ChEBI SMILES [H+] Citrate hydro-lyase (cis-aconitate-forming) Citrate hydro-lyase Isocitric acid citrate synthase 585-84-2 CAS 1.0 CHEBI:30744 ChEBI 1.0 CHEBI:32805 ChEBI CHEBI:32806 ChEBI 2.0 HMDB01487 HMDB HMDB00156 HMDB P61889 UniProt 444493 PubChem-compound C00417 KEGG Compound Citrate synthase monomer Isocitrate lyase 1198 PubChem-compound Malate dehydrogenase SMILES OC(=O)C=O ACETYL-COA BioCyc H2O Water 18.010565 193317 ChemSpider HMDB35227 HMDB P37330 UniProt 1.0 NADH BioCyc ReactionCatalysis3685 ACTIVATION NAD BioCyc Interaction33 Hydroxypropanedioic acid inhibits isocitrate lyase 1.0 Aconitate hydratase 2 CHEBI:15351 ChEBI CIS-ACONITATE BioCyc 970 PubChem-compound C02287 KEGG Compound P0ABH7 UniProt 740 ChemSpider L-Malic acid 85-61-0 CAS C4H6O5 L-Malic acid 134.02153 HMDB00958 HMDB Isocitrate lyase Isocitrate lyase Malate synthase G Citrate synthase monomer Aconitate hydratase 2 Uncharacterized protein ybhJ Aconitate hydratase 1 Malate dehydrogenase Hydroxypropanedioic acid Citric acid H 2 O cis-Aconitic acid Isocitric acid Succinic acid Glyoxylic acid H 2 O Acetyl-CoA CoA H + L-Malic acid trans-Aconitic acid Oxalacetic acid H 2 O Acetyl-CoA CoA H + H 2 O Isocitric acid NAD Oxalacetic acid NADH H + Magnesium Magnesium Aconitate hydratase 1 Aconitate hydratase 2
HMDB00254 HMDB C23H38N7O17P3S Acetyl-CoA 809.1258 C4H4O5 Oxalacetic acid 132.00587 937 ChemSpider Malate synthase G Aconitate hydratase 1 C00311 KEGG Compound Succinic acid CHEBI:30797 ChEBI NADH direct_interaction cis-Aconitic acid 439153 PubChem-compound 1.0 SMILES O CIT BioCyc Reaction2588 false Acetyl-CoA + Oxalacetic acid + Water → Citric acid + Coenzyme A + Hydrogen Ion LEFT_TO_RIGHT 4.2.1.3 false 4.2.1.3 Citric acid → Water + cis-Aconitic acid LEFT_TO_RIGHT Secondary Metabolites: Glyoxylate cycle 1.0 NAD 1.0 OXALACETIC_ACID BioCyc 6816 PubChem-compound 328-42-7 CAS SMILES O[C@@H](CC(O)=O)C(O)=O PW000967 PathWhiz 44 ChemSpider Reaction5164 true cis-Aconitic acid → trans-Aconitic acid LEFT_TO_RIGHT CHEBI:15846 ChEBI C6H8O7 Isocitric acid 192.02701 HMDB01206 HMDB 1.0 1038 PubChem-compound Uncharacterized protein ybhJ 4.2.1.3 false 4.2.1.3 Water + cis-Aconitic acid ↔ Isocitric acid REVERSIBLE ReactionCatalysis2558 ACTIVATION ReactionCatalysis2559 ACTIVATION HMDB59597 HMDB P36683 UniProt HMDB00902 HMDB 97-67-6 CAS CHEBI:16908 ChEBI Isocitrate lyase Acetyl-CoA Oxalacetic acid 945 ChemSpider 77-92-9 CAS 558863 ChemSpider 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 CHEBI:30769 ChEBI CHEBI:30887 ChEBI 1.0 HMDB00119 HMDB ReactionCatalysis2560 ACTIVATION HMDB01423 HMDB 643757 PubChem-compound Hydrogen Ion 1161 ChemSpider SUC BioCyc 58-68-4 CAS ReactionCatalysis2613 ACTIVATION C2H2O3 Glyoxylic acid 74.0004 HMDB00223 HMDB CPD-225 BioCyc C00001 KEGG Compound trans-Aconitic acid C00004 KEGG Compound C00003 KEGG Compound 2.0 CHEBI:15741 ChEBI C21H28N7O14P2 NAD 664.11694 C00010 KEGG Compound 1110 PubChem-compound Glyoxylic acid P25516 UniProt 1.0 C21H29N7O14P2 NADH 665.12476 malate dehydrogenase C4H6O4 Succinic acid 118.02661 45 PubChem-compound C6H6O6 cis-Aconitic acid 174.01643 320-77-4 CAS H Hydrogen Ion 1.007825 threo-d(s)-iso-citrate BioCyc C00149 KEGG Compound Uncharacterized protein ybhJ 53-84-9 CAS C00024 KEGG Compound Citric acid SMILES OC(C(CC(O)=O)C(O)=O)C(O)=O 298-12-4 CAS P75764 UniProt C6H8O7 Citric acid 192.02701 1.0 P0A9G6 UniProt HMDB00094 HMDB 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 19782904 PubChem-compound 760 PubChem-compound CHEBI:16891 ChEBI C00158 KEGG Compound C00036 KEGG Compound 5682 ChemSpider 2.3.3.9 false 2.3.3.9 Acetyl-CoA + Glyoxylic acid + Water → Coenzyme A + Hydrogen Ion + L-Malic acid LEFT_TO_RIGHT 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 CHEBI:1146900 ChEBI 80-69-3 CAS Water SMILES OC(=O)CCC(O)=O 1.1.1.37 false 1.1.1.37 L-Malic acid + NAD → Hydrogen Ion + NADH + Oxalacetic acid LEFT_TO_RIGHT SMILES OC(=O)C\C(=C\C(O)=O)C(O)=O 4.1.3.1 false 4.1.3.1 Isocitric acid ↔ Glyoxylic acid + Succinic acid REVERSIBLE CO-A BioCyc 222656 PubChem-compound Citrate synthase monomer C00042 KEGG Compound 1078 ChemSpider 72-89-9 CAS C02341 KEGG Compound C00048 KEGG Compound Coenzyme A SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O C21H36N7O16P3S Coenzyme A 767.11523 ReactionCatalysis2946 ACTIVATION 4023-65-8 CAS C6H6O6 trans-Aconitic acid 174.01643 CHEBI:16513 ChEBI 6557 ChemSpider HMDB00072 HMDB HMDB00193 HMDB 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 444212 PubChem-compound SMILES OC(=O)CC(=O)C(O)=O 7732-18-5 CAS 388299 ChemSpider GLYOX BioCyc Malate dehydrogenase Aconitate hydratase 2 isocitrate lyase C3H4O5 Hydroxypropanedioic acid 120.005875 1.0 1.0 305 ChemSpider Aconitate hydratase 1 Malate synthase G aconitate hydratase 392201 ChemSpider 962 PubChem-compound 2.0 392413 ChemSpider 6.0 Hydroxypropanedioic acid 1.0 SMILES OC(=O)C\C(=C/C(O)=O)C(O)=O 5893 PubChem-compound HMDB02111 HMDB C00080 KEGG Compound 110-15-6 CAS http://identifiers.org/smpdb/SMP00983 SMPDB ReactionCatalysis5842 ACTIVATION CHEBI:15377 ChEBI 4.0 SMILES OC(C(O)=O)C(O)=O CHEBI:15378 ChEBI SMILES [H+] Citrate hydro-lyase (cis-aconitate-forming) Citrate hydro-lyase Isocitric acid citrate synthase 585-84-2 CAS 1.0 CHEBI:30744 ChEBI 1.0 CHEBI:32805 ChEBI CHEBI:32806 ChEBI 2.0 HMDB01487 HMDB HMDB00156 HMDB P61889 UniProt 444493 PubChem-compound C00417 KEGG Compound Citrate synthase monomer Isocitrate lyase 1198 PubChem-compound Malate dehydrogenase SMILES OC(=O)C=O ACETYL-COA BioCyc H2O Water 18.010565 193317 ChemSpider HMDB35227 HMDB P37330 UniProt 1.0 NADH BioCyc ReactionCatalysis3685 ACTIVATION NAD BioCyc Interaction33 Hydroxypropanedioic acid inhibits isocitrate lyase 1.0 Aconitate hydratase 2 CHEBI:15351 ChEBI CIS-ACONITATE BioCyc 970 PubChem-compound C02287 KEGG Compound P0ABH7 UniProt 740 ChemSpider L-Malic acid 85-61-0 CAS C4H6O5 L-Malic acid 134.02153 HMDB00958 HMDB aceA aceA glcB gltA acnB ybhJ acnA mdh Hydroxypropanedioic acid Citric acid Water cis-Aconitic acid Isocitric acid Succinic acid Glyoxylic acid Water Acetyl-CoA Coenzyme A Hydrogen Ion L-Malic acid trans-Aconitic acid Oxalacetic acid Water Acetyl-CoA Coenzyme A Hydrogen Ion Water Isocitric acid NAD Oxalacetic acid NADH Hydrogen Ion acnA acnB