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Universal:phaccoa

phenylacetyl-CoA(4-)

Default Component
phaccoa:-4
  • phenylacetyl-CoA(4-)
  • Charge: -4
  • Formula: C29H38N7O17P3S
CHEBI:57390
  • phenylacetyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: ZIGIFDRJFZYEEQ-CECATXLMSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 881.635[0], 882.0[1]
  • SMILES: CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1[0,1]
  • Names: phenylacetyl-CoA[0,1], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(phenylacetyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}[0], phenylacetyl-CoA tetraanion[0], phenylacetyl-Coenzyme A(4-)[0], Phenylacetyl-CoA[1], Phenylacetyl coenzyme A[1], phenylacetate-CoA[1]
Data Sources: [0] CHEBI:57390 via ChEBI, [1] cpd00452 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57390 via ChEBI, [1] cpd00452 via ModelSEED
Alternative Component
phaccoa:0
  • phenylacetyl-CoA
  • Charge: 0
  • Formula: C29H42N7O17P3S
CHEBI:15537
  • phenylacetyl-CoA
  • Type: Small Molecule
  • InChiKey: ZIGIFDRJFZYEEQ-CECATXLMSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 885.67[0]
  • SMILES: CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1[0]
  • Names: Phenylacetyl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(phenylacetyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}[0], Phenylacetyl-coenzyme A[0], Phenylacetyl-coa[0], Coenzyme A, S-(benzeneacetate)[0], Phenylacetyl coenzyme A[0]
Data Sources: [0] CHEBI:15537 via ChEBI
Linkouts
Data Sources: [0] CHEBI:15537 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism