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Universal:vaccoa

vinylacetyl-CoA(4-)

Default Component
vaccoa:-4
  • vinylacetyl-CoA(4-)
  • Charge: -4
  • Formula: C25H36N7O17P3S
CHEBI:57396
  • vinylacetyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: UATIGEHITDTAGF-CITAKDKDSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 831.576[0], 832.0[1]
  • SMILES: C=CCC(=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: vinylacetyl-CoA[0,1], 3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(but-3-enoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)[0], 3-Butenoyl-CoA[1], 3-butenoyl-CoA[1], But-3-enoyl-CoA[1], Vinylacetyl-CoA[1], but-3-enoyl-CoA[1]
Data Sources: [0] CHEBI:57396 via ChEBI, [1] cpd01557 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57396 via ChEBI, [1] cpd01557 via ModelSEED
Alternative Component
vaccoa:0
  • vinylacetyl-CoA
  • Charge: 0
  • Formula: C25H40N7O17P3S
CHEBI:15543
  • vinylacetyl-CoA
  • Type: Small Molecule
  • InChiKey: UATIGEHITDTAGF-CITAKDKDSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 835.60936[0]
  • SMILES: C=CCC(=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: Vinylacetyl-CoA[0], 3-Butenoyl-CoA[0], 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(but-3-enoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)[0], but-3-enoyl-CoA[0], But-3-enoyl-CoA[0]
Data Sources: [0] CHEBI:15543 via ChEBI
Linkouts
Data Sources: [0] CHEBI:15543 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism