Chemical Compound

CHEBI:74603

CHEBI:74603 chemical structure
Primary Record

CHEBI:74603

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
71627226
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=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\CCCCCCCCCCCCCCC(=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:74603
  • 3-oxo-C36:6(omega-3)-CoA
  • 3-oxo-all-cis-(omega-3)-hexatriacontahexanoyl-CoA
  • Q27144774
  • (18Z,21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontahexaenoyl-CoA
  • (18Z,21Z,24Z,27Z,30Z,33Z)-3-ketohexatriacontahexaenoyl-CoA
  • (18Z,21Z,24Z,27Z,30Z,33Z)-3-ketohexatriacontahexaenoyl-coenzyme A
  • (18Z,21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontahexaenoyl-coenzyme A
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(18Z,21Z,24Z,27Z,30Z,33Z)-3-oxotetratriconta-18,21,24,27,30,33-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}