1. Home
  2. Universal
  3. Metabolites
  4. aacoa
Universal:aacoa

acetoacetyl-CoA(4-)

Default Component
aacoa:-4
  • acetoacetyl-CoA(4-)
  • Charge: -4
  • Formula: C25H36N7O18P3S
CHEBI:57286
  • acetoacetyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: OJFDKHTZOUZBOS-CITAKDKDSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 847.576[0], 848.0[1]
  • SMILES: CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-][0,1]
  • Names: acetoacetyl-CoA[0,1], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxobutanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}[0], acetoacetyl-CoA tetraanion[0], acetoacetyl-coenzyme A(4-)[0], Acetoacetyl-CoA[1], 3-Acetoacetyl-CoA[1], 3-acetoacetyl-CoA[1], Acetoacetyl coenzyme A[1], acetoacetyl-S-CoA[1]
Data Sources: [0] CHEBI:57286 via ChEBI, [1] cpd00279 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57286 via ChEBI, [1] cpd00279 via ModelSEED
Alternative Component
aacoa:0
  • acetoacetyl-CoA
  • Charge: 0
  • Formula: C25H40N7O18P3S
CHEBI:15345
  • acetoacetyl-CoA
  • Type: Small Molecule
  • InChiKey: OJFDKHTZOUZBOS-CITAKDKDSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 851.61[0]
  • SMILES: CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O[0]
  • Names: Acetoacetyl-CoA[0], Acetoacetyl coenzyme A[0], 3-Acetoacetyl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxobutanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}[0], S-Acetoacetyl-coenzym A[0], S-acetoacetyl-CoA[0], S-acetoacetyl-coenzyme A[0], acetoacetyl CoA[0]
Data Sources: [0] CHEBI:15345 via ChEBI
Linkouts
Data Sources: [0] CHEBI:15345 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism