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Universal:3ohcoa

3-oxohexanoyl-CoA(4-)

Default Component
3ohcoa:-4
  • 3-oxohexanoyl-CoA(4-)
  • Charge: -4
  • Formula: C27H40N7O18P3S
CHEBI:62418
  • 3-oxohexanoyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: NFOYYXQAVVYWKV-HDRQGHTBSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 875.629[0], 876.0[1]
  • SMILES: CCCC(=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: ketohexanoyl-CoA (4-)[0], K-hexanoyl-CoA (4-)[0], 3-Oxohexanoyl-CoA[0,1], K-hexanoyl-CoA[0], ketohexanoyl-coenzyme-A[0,1], 3-oxohexanoyl-CoA[0,1], 3-Ketohexanoyl-CoA[1], 3-ketohexanoyl-CoA[1], beta-hexanoyl-CoA[1], ketohexanoyl-CoA[1]
Data Sources: [0] CHEBI:62418 via ChEBI, [1] cpd03123 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:62418 via ChEBI, [1] cpd03123 via ModelSEED
Alternative Component
3ohcoa:0
  • 3-oxohexanoyl-CoA
  • Charge: 0
  • Formula: C27H44N7O18P3S
CHEBI:27648
  • 3-oxohexanoyl-CoA
  • Type: Small Molecule
  • InChiKey: NFOYYXQAVVYWKV-HDRQGHTBSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 879.66192[0]
  • SMILES: CCCC(=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: 3-Oxohexanoyl-CoA[0], 3-Ketohexanoyl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}[0], 3-Ketohexanoyl-coenzyme A[0], Coenzyme A, S-(3-oxohexanoate)[0], 3-oxohexanoyl-coenzyme A[0], adenosine 3'-phosphoric acid 5'-[diphosphoric acid P(2)-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3-oxohexanoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester[0]
Data Sources: [0] CHEBI:27648 via ChEBI
Linkouts
Data Sources: [0] CHEBI:27648 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism