Chemical Compound

RefChem:68256

RefChem:68256 chemical structure
Primary Record

RefChem:68256

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
71581183
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=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\CCCCCCCCCCCC(=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:68256
  • C28:5(omega-3)-CoA
  • CHEBI:74413
  • (13Z,16Z,19Z,22Z,25Z)-octacosapentaenoyl-CoA
  • C21951
  • (13Z,16Z,19Z,22Z,25Z)-octacosapentaenoyl-coenzyme A
  • 13cis,16cis,19cis,22cis,25cis-octacosapentaenoyl-CoA
  • 13cis,16cis,19cis,22cis,25cis-octacosapentaenoyl-coenzyme A
  • Q27144657
  • 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(13Z,16Z,19Z,22Z,21Z)-octacosa-13,16,19,22,25-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • 3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-(((13Z,16Z,19Z,22Z,21Z)-octacosa-13,16,19,22,25-pentaenoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)