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388357 ChemSpider C23H38N7O17P3S Acetyl-CoA 809.1258 439161 PubChem-compound C01089 KEGG Compound 937 ChemSpider 388353 ChemSpider 439153 PubChem-compound SMILES O Succinic acid C00207 KEGG Compound 1.0 PW000054 PathWhiz PW000050 PathWhiz Acetoacetyl-CoA SubPathwayOutput SubPathwayInput 6816 PubChem-compound Glycolysis SubPathway 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 CHEBI:15380 ChEBI C25H40N7O19P3S Succinyl-CoA 867.1312 Acetyl-CoA SubPathwayOutput P35914 UniProt C00332 KEGG Compound Fatty Acid Metabolism SubPathway 274 ChemSpider Hydroxymethylglutaryl-CoA lyase, mitochondrial Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial 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@@H](O)C(=O)NCCC(=O)NCCS Pyruvate Metabolism SubPathway 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 1.0 PW000545 PathWhiz CPD-335 BioCyc 3-Hydroxy-3-methylglutaryl-CoA SubPathwayOutput HMDB0001659 HMDB SMILES C[C@@H](O)CC(O)=O C00356 KEGG Compound SUC BioCyc 58-68-4 CAS SMP0000040 SMPDB HMDB0001423 HMDB Water 124-38-9 CAS 94 ChemSpider 83181 ChemSpider ReactionCatalysis182 ACTIVATION C00001 KEGG Compound SubPathwayInteraction81 SubPathway81Reaction SubPathwayReaction ReactionCatalysis183 ACTIVATION C00004 KEGG Compound SubPathwayInteraction84 SubPathway84Reaction SubPathwayReaction C00003 KEGG Compound SubPathwayInteraction83 SubPathway83Reaction SubPathwayReaction Acetyl-CoA acetyltransferase, mitochondrial SubPathwayInteraction82 SubPathwayReaction SubPathway82Reaction SMP0000051 SMPDB P24752 UniProt CHEBI:15741 ChEBI Acetone C21H28N7O14P2 NAD 664.11694 C00011 KEGG Compound SMILES O=C=O C00010 KEGG Compound HMDB0000902 HMDB P55809 UniProt 1110 PubChem-compound Extracellular Space C25H40N7O18P3S Acetoacetyl-CoA 851.13635 SMP0000060 SMPDB Succinyl-CoA C21H29N7O14P2 NADH 665.12476 3-HYDROXY-3-METHYL-GLUTARYL-COA BioCyc HMDB0001206 HMDB 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 Steroid Biosynthesis SubPathway 1.0 GO:0005739 GENE ONTOLOGY 1.0 GO:0005615 GENE ONTOLOGY 1.0 GO:0005737 GENE ONTOLOGY SMILES CC(C)=O 1.0 3-KETOBUTYRATE BioCyc 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 HMDB0000254 HMDB 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 HMDB0000011 HMDB 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 Succinyl CoA: 3-Ketoacid CoA Transferase Deficiency Cytoplasm ACETOACETYL-COA BioCyc Reaction817 true Acetoacetic acid → Acetone + Carbon dioxide LEFT_TO_RIGHT Coenzyme A 6557 ChemSpider Homo sapiens 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 7732-18-5 CAS C27H44N7O20P3S 3-Hydroxy-3-methylglutaryl-CoA 911.1575 (R)-3-Hydroxybutyric acid NAD HMDB0001487 HMDB 439214 PubChem-compound SMP0000023 SMPDB HMDB0001484 HMDB 439218 PubChem-compound CHEBI:16526 ChEBI SMILES CC(=O)CC(O)=O NADH HMDB0001375 HMDB 9606 TAXONOMY 962 PubChem-compound PW000023 PathWhiz SMP0000569 SMPDB 392413 ChemSpider PW000146 PathWhiz CO2 Carbon dioxide 43.98983 Q02338 UniProt 5893 PubChem-compound 110-15-6 CAS 2.0 625-72-9 CAS D-beta-hydroxybutyrate dehydrogenase, mitochondrial 92135 PubChem-compound 175 ChemSpider 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 HMDB0002111 HMDB HMDB0001022 HMDB CHEBI:15377 ChEBI 4.0 1.0 D-beta-hydroxybutyrate dehydrogenase, mitochondrial C00091 KEGG Compound 280 PubChem-compound Acetyl-CoA acetyltransferase, mitochondrial C3H6O Acetone 58.041866 HMDB0000060 HMDB 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 Reaction682 false Acetoacetyl-CoA + Acetyl-CoA + Water → 3-Hydroxy-3-methylglutaryl-CoA + Coenzyme A LEFT_TO_RIGHT CHEBI:15344 ChEBI 3-oxoacid CoA-transferase 1 CHEBI:15467 ChEBI CHEBI:15345 ChEBI 444493 PubChem-compound CHEBI:15347 ChEBI 1.0 ACETYL-COA BioCyc H2O Water 18.010565 541-50-4 CAS 1.0 3-METHYLBENZYLSUCCINYL-COA BioCyc NADH BioCyc NAD BioCyc ReactionCatalysis364 ACTIVATION HMDB0001967 HMDB CHEBI:15351 ChEBI Hydroxymethylglutaryl-CoA lyase, mitochondrial 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 Accumulation 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
388357 ChemSpider C23H38N7O17P3S Acetyl-CoA 809.1258 439161 PubChem-compound C01089 KEGG Compound 937 ChemSpider 388353 ChemSpider 439153 PubChem-compound SMILES O Succinic acid C00207 KEGG Compound 1.0 PW000054 PathWhiz PW000050 PathWhiz Acetoacetyl-CoA SubPathwayOutput SubPathwayInput 6816 PubChem-compound Glycolysis SubPathway 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 CHEBI:15380 ChEBI C25H40N7O19P3S Succinyl-CoA 867.1312 Acetyl-CoA SubPathwayOutput P35914 UniProt C00332 KEGG Compound Fatty Acid Metabolism SubPathway 274 ChemSpider Hydroxymethylglutaryl-CoA lyase, mitochondrial Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial 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@@H](O)C(=O)NCCC(=O)NCCS Pyruvate Metabolism SubPathway 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 1.0 PW000545 PathWhiz CPD-335 BioCyc 3-Hydroxy-3-methylglutaryl-CoA SubPathwayOutput HMDB0001659 HMDB SMILES C[C@@H](O)CC(O)=O C00356 KEGG Compound SUC BioCyc 58-68-4 CAS SMP0000040 SMPDB HMDB0001423 HMDB Water 124-38-9 CAS 94 ChemSpider 83181 ChemSpider ReactionCatalysis182 ACTIVATION C00001 KEGG Compound SubPathwayInteraction81 SubPathway81Reaction SubPathwayReaction ReactionCatalysis183 ACTIVATION C00004 KEGG Compound SubPathwayInteraction84 SubPathway84Reaction SubPathwayReaction C00003 KEGG Compound SubPathwayInteraction83 SubPathway83Reaction SubPathwayReaction Acetyl-CoA acetyltransferase, mitochondrial SubPathwayInteraction82 SubPathwayReaction SubPathway82Reaction SMP0000051 SMPDB P24752 UniProt CHEBI:15741 ChEBI Acetone C21H28N7O14P2 NAD 664.11694 C00011 KEGG Compound SMILES O=C=O C00010 KEGG Compound HMDB0000902 HMDB P55809 UniProt 1110 PubChem-compound Extracellular Space C25H40N7O18P3S Acetoacetyl-CoA 851.13635 SMP0000060 SMPDB Succinyl-CoA C21H29N7O14P2 NADH 665.12476 3-HYDROXY-3-METHYL-GLUTARYL-COA BioCyc HMDB0001206 HMDB 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 Steroid Biosynthesis SubPathway 1.0 GO:0005739 GENE ONTOLOGY 1.0 GO:0005615 GENE ONTOLOGY 1.0 GO:0005737 GENE ONTOLOGY SMILES CC(C)=O 1.0 3-KETOBUTYRATE BioCyc 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 HMDB0000254 HMDB 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 HMDB0000011 HMDB 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 Succinyl CoA: 3-Ketoacid CoA Transferase Deficiency Cytoplasm ACETOACETYL-COA BioCyc Reaction817 true Acetoacetic acid → Acetone + Carbon dioxide LEFT_TO_RIGHT Coenzyme A 6557 ChemSpider Homo sapiens 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 7732-18-5 CAS C27H44N7O20P3S 3-Hydroxy-3-methylglutaryl-CoA 911.1575 (R)-3-Hydroxybutyric acid NAD HMDB0001487 HMDB 439214 PubChem-compound SMP0000023 SMPDB HMDB0001484 HMDB 439218 PubChem-compound CHEBI:16526 ChEBI SMILES CC(=O)CC(O)=O NADH HMDB0001375 HMDB 9606 TAXONOMY 962 PubChem-compound PW000023 PathWhiz SMP0000569 SMPDB 392413 ChemSpider PW000146 PathWhiz CO2 Carbon dioxide 43.98983 Q02338 UniProt 5893 PubChem-compound 110-15-6 CAS 2.0 625-72-9 CAS D-beta-hydroxybutyrate dehydrogenase, mitochondrial 92135 PubChem-compound 175 ChemSpider 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 HMDB0002111 HMDB HMDB0001022 HMDB CHEBI:15377 ChEBI 4.0 1.0 D-beta-hydroxybutyrate dehydrogenase, mitochondrial C00091 KEGG Compound 280 PubChem-compound Acetyl-CoA acetyltransferase, mitochondrial C3H6O Acetone 58.041866 HMDB0000060 HMDB 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 Reaction682 false Acetoacetyl-CoA + Acetyl-CoA + Water → 3-Hydroxy-3-methylglutaryl-CoA + Coenzyme A LEFT_TO_RIGHT CHEBI:15344 ChEBI 3-oxoacid CoA-transferase 1 CHEBI:15467 ChEBI CHEBI:15345 ChEBI 444493 PubChem-compound CHEBI:15347 ChEBI 1.0 ACETYL-COA BioCyc H2O Water 18.010565 541-50-4 CAS 1.0 3-METHYLBENZYLSUCCINYL-COA BioCyc NADH BioCyc NAD BioCyc ReactionCatalysis364 ACTIVATION HMDB0001967 HMDB CHEBI:15351 ChEBI Hydroxymethylglutaryl-CoA lyase, mitochondrial 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 Accumulation Acetoacetic acid Succinyl-CoA Succinic acid (R)-3- Hydroxybutyric acid NAD NADH Carbon dioxide Fatty Acid Metabolism Pyruvate Metabolism Glycolysis Steroid Biosynthesis