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Universal:dd3coa

cis-dodec-3-enoyl-CoA(4-)

Default Component
dd3coa:-4
  • cis-dodec-3-enoyl-CoA(4-)
  • Charge: -4
  • Formula: C33H52N7O17P3S
CHEBI:58543
  • cis-dodec-3-enoyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: XEMIVMKTVGRFTD-REDSNERGSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 943.789[0]
  • SMILES: CCCCCCCC/C=C\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: (3Z)-dodecenoyl-CoA[0], 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3Z)-dodec-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}[0]
Data Sources: [0] CHEBI:58543 via ChEBI
Linkouts
Data Sources: [0] CHEBI:58543 via ChEBI
Alternative Component
dd3coa:0
  • cis-dodec-3-enoyl-CoA
  • Charge: 0
  • Formula: C33H56N7O17P3S
CHEBI:27989
  • cis-dodec-3-enoyl-CoA
  • Type: Small Molecule
  • InChiKey: XEMIVMKTVGRFTD-REDSNERGSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 947.822[0]
  • SMILES: CCCCCCCC/C=C\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-cis-Dodecenoyl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3Z)-dodec-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0], 3-cis-Dodecenoyl coenzyme A[0], (3Z)-Dodec-3-enoyl-CoA[0], (3Z)-Dodecenoyl-CoA[0]
Data Sources: [0] CHEBI:27989 via ChEBI
Linkouts
Data Sources: [0] CHEBI:27989 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism