Chemical Compound

RefChem:68198

RefChem:68198 chemical structure
Primary Record

RefChem:68198

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
71581206
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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\CCCCCCCCCC(=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

  • RefChem:68198
  • C26:5(omega-3)-CoA
  • C26:5(omega-3)-coenzyme A
  • CHEBI:74358
  • (11Z,14Z,17Z,20Z,23Z)-hexacosapentaenoyl-CoA
  • C21949
  • (11Z,14Z,17Z,20Z,23Z)-hexacosapentaenoyl-coenzyme A
  • 11cis,14cis,17cis,20cis,23cis-hexacosapentaenoyl-CoA
  • 11cis,14cis,17cis,20cis,23cis-hexacosapentaenoyl-coenzyme A
  • Q27144635
  • 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(11Z,14Z,17Z,20Z,23Z)-hexacosa-11,14,17,20,23-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • 3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-(((11Z,14Z,17Z,20Z,23Z)-hexacosa-11,14,17,20,23-pentaenoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)