Chemical Compound

RefChem:68810

RefChem:68810 chemical structure
Primary Record

RefChem:68810

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
72551533
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC/C=C/C(=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\CCC/C=C/C(=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:68810
  • docosapentaenoyl-2-enoyl-CoA
  • CHEBI:76643
  • (2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA
  • (2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-coenzyme A
  • Q27146220
  • (2E,7Z,10Z,13Z,16Z,19Z)-docosa-2,7,10,13,16,19-hexaenoyl-CoA
  • 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,7Z,10Z,13Z,16Z,19Z)-docosa-2,7,10,13,16,19-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • 3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-(((2E,7Z,10Z,13Z,16Z,19Z)-docosa-2,7,10,13,16,19-hexaenoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)