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Universal:ptdcacoa

pentadecanoyl-CoA(4-)

Default Component
ptdcacoa:-4
  • pentadecanoyl-CoA(4-)
  • Charge: -4
  • Formula: C36H60N7O17P3S
CHEBI:74309
  • pentadecanoyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: VLBCUOVMSMAIJC-VTINEICCSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 987.885[0], 987.888[1]
  • SMILES: CCCCCCCCCCCCCCC(=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: pentadecanoyl-CoA[0,1], pentadecanoyl-coenzyme A(4-)[0], 3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(pentadecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} diphosphate)[0]
Data Sources: [0] CHEBI:74309 via ChEBI, [1] cpd34011 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:74309 via ChEBI, [1] cpd34011 via ModelSEED
Alternative Component
ptdcacoa:0
  • pentadecanoyl-CoA
  • Charge: 0
  • Formula: C36H64N7O17P3S
CHEBI:74574
  • pentadecanoyl-CoA
  • Type: Small Molecule
  • InChiKey: VLBCUOVMSMAIJC-VTINEICCSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 991.916[0]
  • SMILES: CCCCCCCCCCCCCCC(=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: pentadecanoyl-coenzyme A[0], 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(pentadecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)[0]
Data Sources: [0] CHEBI:74574 via ChEBI
Linkouts
Data Sources: [0] CHEBI:74574 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism