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HMDB00254 HMDB 388357 ChemSpider C23H38N7O17P3S Acetyl-CoA 809.1258 439161 PubChem-compound C01089 KEGG Compound 388353 ChemSpider HMDB00011 HMDB 439153 PubChem-compound Succinic acid SMP00023 SMPDB C00207 KEGG Compound 1.0 PW000054 PathWhiz PW000050 PathWhiz Acetoacetyl-CoA SubPathwayOutput SubPathwayInput 6816 PubChem-compound CHEBI:15846 ChEBI 1.0 Hydroxymethylglutaryl-CoA lyase, mitochondrial C4H6O3 Acetoacetic acid 102.03169 Acetone ReactionCatalysis178 ACTIVATION 2.0 1553-55-5 CAS C4H8O3 (R)-3-Hydroxybutyric acid 104.04734 HMDB01206 HMDB CHEBI:15380 ChEBI C25H40N7O19P3S Succinyl-CoA 867.1312 Acetyl-CoA SubPathwayOutput P35914 UniProt C00332 KEGG Compound SMP00040 SMPDB 274 ChemSpider Hydroxymethylglutaryl-CoA lyase, mitochondrial Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial HMDB00902 HMDB 67-64-1 CAS CHEBI:16908 ChEBI 4.0 2.0 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 SMP00051 SMPDB Mitochondrion 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)NCCSC(=O)CCC(O)=O HMDB01423 HMDB 1.0 CPD-335 BioCyc 3-Hydroxy-3-methylglutaryl-CoA SubPathwayOutput SMILES C[C@@H](O)CC(O)=O C00356 KEGG Compound SUC BioCyc 58-68-4 CAS HMDB01659 HMDB 124-38-9 CAS 94 ChemSpider 83181 ChemSpider ReactionCatalysis182 ACTIVATION SubPathwayInteraction81 SubPathway81Reaction SubPathwayReaction ReactionCatalysis183 ACTIVATION C00004 KEGG Compound SubPathwayInteraction84 SubPathway84Reaction SubPathwayReaction C00003 KEGG Compound SubPathwayInteraction83 SubPathway83Reaction SubPathwayReaction Acetyl-CoA acetyltransferase, mitochondrial SubPathwayInteraction82 SubPathwayReaction SubPathway82Reaction P24752 UniProt CHEBI:15741 ChEBI Acetone C21H28N7O14P2 NAD 664.11694 C00011 KEGG Compound SMILES O=C=O C00010 KEGG Compound P55809 UniProt 1110 PubChem-compound Extracellular Space C25H40N7O18P3S Acetoacetyl-CoA 851.13635 Succinyl-CoA C21H29N7O14P2 NADH 665.12476 3-HYDROXY-3-METHYL-GLUTARYL-COA BioCyc 1.1.1.30 false 1.1.1.30 (R)-3-Hydroxybutyric acid + NAD ↔ Acetoacetic acid + NADH REVERSIBLE C4H6O4 Succinic acid 118.02661 388307 ChemSpider 1.0 53-84-9 CAS C00024 KEGG Compound 1.0 GO:0005739 GENE ONTOLOGY 1.0 GO:0005615 GENE ONTOLOGY 1.0 GO:0005737 GENE ONTOLOGY SMILES CC(C)=O 3-KETOBUTYRATE BioCyc CL:0000000 CELL TYPE ONTOLOGY 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 1.0 Transport26 false Acetone (→) Transport: Homo sapiens, Cell, Cytoplasm to Homo sapiens, Extracellular Space LEFT_TO_RIGHT Transport25 false Acetone (→) Transport: Homo sapiens, Cell, Mitochondrion to Homo sapiens, Cell, Cytoplasm LEFT_TO_RIGHT CHEBI:17066 ChEBI 5682 ChemSpider 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 SMILES CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(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 SMILES OC(=O)CCC(O)=O 1.0 1.0 Acetoacetic acid Acetone CO-A BioCyc Acetyl-CoA acetyltransferase, mitochondrial C00164 KEGG Compound C00042 KEGG Compound 72-89-9 CAS 1078 ChemSpider Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial Carbon dioxide C21H36N7O16P3S Coenzyme A 767.11523 604-98-8 CAS D-beta-hydroxybutyrate dehydrogenase, mitochondrial Cytoplasm Cell ACETOACETYL-COA BioCyc Reaction817 true Acetoacetic acid → Acetone + Carbon dioxide LEFT_TO_RIGHT Coenzyme A 6557 ChemSpider 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 388299 ChemSpider C27H44N7O20P3S 3-Hydroxy-3-methylglutaryl-CoA 911.1575 (R)-3-Hydroxybutyric acid NAD 439214 PubChem-compound 439218 PubChem-compound Glycolysis SubPathway Pyruvate Metabolism SubPathway Fatty acid Metabolism SubPathway CHEBI:16526 ChEBI Steroid Biosynthesis SubPathway SMILES CC(=O)CC(O)=O HMDB01967 HMDB NADH 9606 TAXONOMY PW000023 PathWhiz PW000028 PathWhiz 392413 ChemSpider PW000146 PathWhiz CO2 Carbon dioxide 43.98983 Q02338 UniProt 5893 PubChem-compound HMDB01022 HMDB SMP00060 SMPDB 110-15-6 CAS 2.0 625-72-9 CAS D-beta-hydroxybutyrate dehydrogenase, mitochondrial 92135 PubChem-compound 175 ChemSpider BiologicalState3 1420-36-6 CAS SMILES C[C@](O)(CC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)C(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 4.0 HMDB00060 HMDB 1.0 D-beta-hydroxybutyrate dehydrogenase, mitochondrial SMP00071 SMPDB C00091 KEGG Compound 280 PubChem-compound Acetyl-CoA acetyltransferase, mitochondrial C3H6O Acetone 58.041866 96 PubChem-compound 2.8.3.5 false 2.8.3.5 Acetoacetic acid + Succinyl-CoA ↔ Acetoacetyl-CoA + Succinic acid REVERSIBLE 4.1.3.4 false 4.1.3.4 3-Hydroxy-3-methylglutaryl-CoA → Acetoacetic acid + Acetyl-CoA LEFT_TO_RIGHT 2.3.1.9 false 2.3.1.9 2 Acetyl-CoA ↔ Acetoacetyl-CoA + Coenzyme A REVERSIBLE CHEBI:15344 ChEBI HMDB01487 HMDB 3-oxoacid CoA-transferase 1 CHEBI:15467 ChEBI CHEBI:15345 ChEBI 444493 PubChem-compound CHEBI:15347 ChEBI HMDB01484 HMDB 1.0 ACETYL-COA BioCyc Ketone Body Metabolism 541-50-4 CAS 1.0 3-METHYLBENZYLSUCCINYL-COA BioCyc NADH BioCyc NAD BioCyc ReactionCatalysis364 ACTIVATION CHEBI:15351 ChEBI Hydroxymethylglutaryl-CoA lyase, mitochondrial HMDB01375 HMDB 180 PubChem-compound 85-61-0 CAS 1.0 Acetyl-CoA acetyltransferase, mitochondrial Hydroxymethylglutaryl- CoA synthase, mitochondrial Hydroxymethylglutaryl- CoA lyase, mitochondrial Succinyl- CoA:3- ketoacid coenzyme A transferase 1, mitochondrial D-beta- hydroxybutyrate dehydrogenase, mitochondrial Acetoacetyl-CoA Acetyl-CoA 3-Hydroxy-3-methylglutaryl-CoA Acetone Acetone Acetone CoA H 2 O CoA Acetoacetic acid Succinyl-CoA Succinic acid (R)-3-Hydroxybutyric acid NAD NADH CO 2 Fatty acid Metabolism Pyruvate Metabolism Glycolysis Steroid Biosynthesis Inner Mitochondria Membrane Outer Mitochondria Membrane Mitochondrial Intermembrane space Intracellular Space Extracellular Space Mitochondria Mitochondrial matrix Extracellular Space
HMDB00254 HMDB 388357 ChemSpider C23H38N7O17P3S Acetyl-CoA 809.1258 439161 PubChem-compound C01089 KEGG Compound 388353 ChemSpider HMDB00011 HMDB 439153 PubChem-compound Succinic acid http://identifiers.org/smpdb/SMP00023 SMPDB C00207 KEGG Compound 1.0 PW000054 PathWhiz PW000050 PathWhiz Acetoacetyl-CoA SubPathwayOutput SubPathwayInput 6816 PubChem-compound CHEBI:15846 ChEBI 1.0 Hydroxymethylglutaryl-CoA lyase, mitochondrial C4H6O3 Acetoacetic acid 102.03169 Acetone ReactionCatalysis178 ACTIVATION 2.0 1553-55-5 CAS C4H8O3 (R)-3-Hydroxybutyric acid 104.04734 HMDB01206 HMDB CHEBI:15380 ChEBI C25H40N7O19P3S Succinyl-CoA 867.1312 Acetyl-CoA SubPathwayOutput P35914 UniProt C00332 KEGG Compound http://identifiers.org/smpdb/SMP00040 SMPDB 274 ChemSpider Hydroxymethylglutaryl-CoA lyase, mitochondrial Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial HMDB00902 HMDB 67-64-1 CAS CHEBI:16908 ChEBI 4.0 2.0 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 http://identifiers.org/smpdb/SMP00051 SMPDB Mitochondrion 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)NCCSC(=O)CCC(O)=O HMDB01423 HMDB 1.0 CPD-335 BioCyc 3-Hydroxy-3-methylglutaryl-CoA SubPathwayOutput SMILES C[C@@H](O)CC(O)=O C00356 KEGG Compound SUC BioCyc 58-68-4 CAS HMDB01659 HMDB 124-38-9 CAS 94 ChemSpider 83181 ChemSpider ReactionCatalysis182 ACTIVATION SubPathwayInteraction81 SubPathway81Reaction SubPathwayReaction ReactionCatalysis183 ACTIVATION C00004 KEGG Compound SubPathwayInteraction84 SubPathway84Reaction SubPathwayReaction C00003 KEGG Compound SubPathwayInteraction83 SubPathway83Reaction SubPathwayReaction Acetyl-CoA acetyltransferase, mitochondrial SubPathwayInteraction82 SubPathwayReaction SubPathway82Reaction P24752 UniProt CHEBI:15741 ChEBI Acetone C21H28N7O14P2 NAD 664.11694 C00011 KEGG Compound SMILES O=C=O C00010 KEGG Compound P55809 UniProt 1110 PubChem-compound Extracellular Space C25H40N7O18P3S Acetoacetyl-CoA 851.13635 Succinyl-CoA C21H29N7O14P2 NADH 665.12476 3-HYDROXY-3-METHYL-GLUTARYL-COA BioCyc 1.1.1.30 false 1.1.1.30 (R)-3-Hydroxybutyric acid + NAD ↔ Acetoacetic acid + NADH REVERSIBLE C4H6O4 Succinic acid 118.02661 388307 ChemSpider 1.0 53-84-9 CAS C00024 KEGG Compound 1.0 GO:0005739 GENE ONTOLOGY 1.0 GO:0005615 GENE ONTOLOGY 1.0 GO:0005737 GENE ONTOLOGY SMILES CC(C)=O 3-KETOBUTYRATE BioCyc CL:0000000 CELL TYPE ONTOLOGY 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 1.0 Transport26 false Acetone (→) Transport: Homo sapiens, Cell, Cytoplasm to Homo sapiens, Extracellular Space LEFT_TO_RIGHT Transport25 false Acetone (→) Transport: Homo sapiens, Cell, Mitochondrion to Homo sapiens, Cell, Cytoplasm LEFT_TO_RIGHT CHEBI:17066 ChEBI 5682 ChemSpider 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 SMILES CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(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 SMILES OC(=O)CCC(O)=O 1.0 1.0 Acetoacetic acid Acetone CO-A BioCyc Acetyl-CoA acetyltransferase, mitochondrial C00164 KEGG Compound C00042 KEGG Compound 72-89-9 CAS 1078 ChemSpider Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial Carbon dioxide C21H36N7O16P3S Coenzyme A 767.11523 604-98-8 CAS D-beta-hydroxybutyrate dehydrogenase, mitochondrial Cytoplasm Cell ACETOACETYL-COA BioCyc Reaction817 true Acetoacetic acid → Acetone + Carbon dioxide LEFT_TO_RIGHT Coenzyme A 6557 ChemSpider 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 388299 ChemSpider C27H44N7O20P3S 3-Hydroxy-3-methylglutaryl-CoA 911.1575 (R)-3-Hydroxybutyric acid NAD 439214 PubChem-compound 439218 PubChem-compound Glycolysis SubPathway Pyruvate Metabolism SubPathway Fatty acid Metabolism SubPathway CHEBI:16526 ChEBI Steroid Biosynthesis SubPathway SMILES CC(=O)CC(O)=O HMDB01967 HMDB NADH 9606 TAXONOMY PW000023 PathWhiz PW000028 PathWhiz 392413 ChemSpider PW000146 PathWhiz CO2 Carbon dioxide 43.98983 Q02338 UniProt 5893 PubChem-compound HMDB01022 HMDB http://identifiers.org/smpdb/SMP00060 SMPDB 110-15-6 CAS 2.0 625-72-9 CAS D-beta-hydroxybutyrate dehydrogenase, mitochondrial 92135 PubChem-compound 175 ChemSpider BiologicalState3 Homo sapiens, Cell, Mitochondrion 1420-36-6 CAS SMILES C[C@](O)(CC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)C(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 4.0 HMDB00060 HMDB 1.0 D-beta-hydroxybutyrate dehydrogenase, mitochondrial http://identifiers.org/smpdb/SMP00071 SMPDB C00091 KEGG Compound 280 PubChem-compound Acetyl-CoA acetyltransferase, mitochondrial C3H6O Acetone 58.041866 96 PubChem-compound 2.8.3.5 false 2.8.3.5 Acetoacetic acid + Succinyl-CoA ↔ Acetoacetyl-CoA + Succinic acid REVERSIBLE 4.1.3.4 false 4.1.3.4 3-Hydroxy-3-methylglutaryl-CoA → Acetoacetic acid + Acetyl-CoA LEFT_TO_RIGHT 2.3.1.9 false 2.3.1.9 2 Acetyl-CoA ↔ Acetoacetyl-CoA + Coenzyme A REVERSIBLE CHEBI:15344 ChEBI HMDB01487 HMDB 3-oxoacid CoA-transferase 1 CHEBI:15467 ChEBI CHEBI:15345 ChEBI 444493 PubChem-compound CHEBI:15347 ChEBI HMDB01484 HMDB 1.0 ACETYL-COA BioCyc Ketone Body Metabolism 541-50-4 CAS 1.0 3-METHYLBENZYLSUCCINYL-COA BioCyc NADH BioCyc NAD BioCyc ReactionCatalysis364 ACTIVATION CHEBI:15351 ChEBI Hydroxymethylglutaryl-CoA lyase, mitochondrial HMDB01375 HMDB 180 PubChem-compound 85-61-0 CAS 1.0 Mitochondria ACAT1 HMGCS2 HMGCL OXCT1 BDH1 Acetoacetyl-CoA Acetyl-CoA 3-Hydroxy-3- methylglutaryl- CoA Acetone Acetone Acetone Coenzyme A Water Coenzyme A Acetoacetic acid Succinyl-CoA Succinic acid (R)-3- Hydroxybutyric acid NAD NADH Carbon dioxide Fatty acid Metabolism Pyruvate Metabolism Glycolysis Steroid Biosynthesis