Chemical Compound

CHEBI:74595

CHEBI:74595 chemical structure
Primary Record

CHEBI:74595

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
71627229
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=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\CCCCCCCCCCC(=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:74595
  • 3-oxo-C32:6(omega-3)-CoA
  • 3-oxo-all-cis-(omega-3)-dotriacontahexaenoyl-CoA
  • (14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA
  • Q27144769
  • (14Z,17Z,20Z,23Z,26Z,29Z)-3-ketodotriacontahexaenoyl-CoA
  • (14Z,17Z,20Z,23Z,26Z,29Z)-3-ketodotriacontahexaenoyl-coenzyme A
  • (14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-coenzyme A
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriconta-14,17,20,23,26,29-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}