Chemical Compound

CHEBI:74311

CHEBI:74311 chemical structure
Primary Record

CHEBI:74311

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
71627266
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O
Canonical SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)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-]

Names & Synonyms

  • CHEBI:74311
  • 3-oxo-C28:6(omega-3)-CoA(4-)
  • 3-oxo-all-cis-(omega-3)-octacosahexaenoyl-CoA(4-)
  • Q27144601
  • (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA(4-)
  • 3-oxo-(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA
  • (10Z,13Z,16Z,19Z,22Z,25Z)-3-ketooctacosahexaenoyl-CoA(4-)
  • 3-keto-(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA(4-)
  • 3-oxo-(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA(4-)
  • (10Z,13Z,16Z,19Z,22Z,25Z)-3-ketooctacosahexaenoyl-coenzyme A(4-)
  • (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-coenzyme A(4-)
  • 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosa-10,13,16,19,22,25-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}