Chemical Compound

AC1NQXKB

AC1NQXKB chemical structure
Primary Record

AC1NQXKB

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
5280771
SMILES
CCCCC/C=C\C/C=C\CC(=O)SCCNC(=O)CCNC(=O)C(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
CCCCC/C=C\C/C=C\CC(=O)SCCNC(=O)CCNC(=O)C(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

  • AC1NQXKB
  • cis,cis-3,6-Dodecadienoyl-CoA
  • (3Z,6Z)-dodecadienoyl-CoA
  • cis,cis-dodeca-3,6-dienoyl-CoA
  • CHEBI:184652
  • cis,cis-3,6-dodecadienoyl-coenzyme A
  • CID5280771
  • cis,cis-dodeca-3,6-dienoyl-coenzyme A
  • J2.755.268D
  • C05280
  • S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3Z,6Z)-dodeca-3,6-dienethioate
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(3Z,6Z)-dodeca-3,6-dienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
  • 4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-[2-({2-[(3Z,6Z)-dodeca-3,6-dienoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidic acid
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[(3Z,6Z)-1-oxo-3,6-dodecadienyl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester