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Universal:2oxpaccoa

2-oxepin-2(3H)-ylideneacetyl-CoA(4-)

Default Component
2oxpaccoa:-4
  • 2-oxepin-2(3H)-ylideneacetyl-CoA(4-)
  • Charge: -4
  • Formula: C29H38N7O18P3S
CHEBI:63252
  • 2-oxepin-2(3H)-ylideneacetyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: ZQZCWPBSHHYCMM-BETJHJQZSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 897.634[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)/C=C1/CC=CC=CO1[0]
  • Names: 2-oxepin-2(3H)-ylideneacetyl-CoA tetraanion[0], oxepin-CoA tetraanion[0], oxepin-CoA(4-)[0], 2-oxepin-2(3H)-ylideneacetyl-CoA[0]
Data Sources: [0] CHEBI:63252 via ChEBI
Linkouts
Data Sources: [0] CHEBI:63252 via ChEBI
Alternative Component
2oxpaccoa:0
  • 2-oxepin-2(3H)-ylideneacetyl-CoA
  • Charge: 0
  • Formula: C29H42N7O18P3S
CHEBI:63251
  • 2-oxepin-2(3H)-ylideneacetyl-CoA
  • Type: Small Molecule
  • InChiKey: ZQZCWPBSHHYCMM-BETJHJQZSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 901.666[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)/C=C1/CC=CC=CO1[0]
  • Names: 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[oxepin-2(3H)-ylideneacetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0], oxepin-CoA[0]
Data Sources: [0] CHEBI:63251 via ChEBI
Linkouts
Data Sources: [0] CHEBI:63251 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism