Chemical Compound

trans-3-Hexenoyl-CoA

trans-3-Hexenoyl-CoA chemical structure
Primary Record

trans-3-Hexenoyl-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
90659882
SMILES
CC/C=C/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/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

  • trans-3-Hexenoyl-CoA
  • 3trans-hexenoyl-CoA
  • 3-Hexenoyl CoA
  • (3E)-hexenoyl-CoA
  • (3E)-hexenoyl-coenzyme A
  • 3trans-hexenoyl-coenzyme A
  • RefChem:190611
  • trans-3-hexenoyl-coenzyme A
  • CHEBI:85442
  • SCHEMBL30528229
  • SCHEMBL30528230
  • J358.060A
  • J929.877K
  • Q27158577
  • 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3E)-hex-3-enoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-((((((3-((2-((2-((3E)-hex-3-enoylsulfanyl)ethyl)carbamoyl)ethyl)carbamoyl)-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxyoxolan-3-yl)oxy)phosphonic acid
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(hex-3-enoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(3E)-hex-3-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(3E)-hex-3-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
  • 3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-(((3E)-hex-3-enoyl)sulfanyl)ethyl)amino)-3-hydroxy-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-(3-hexenoylthio)ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-[[(E)-3-hexenoyl]thio]ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester