Chemical Compound

Sorbyl CoA

Sorbyl CoA chemical structure
Primary Record

Sorbyl CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
4369238
SMILES
C/C=C/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
C/C=C/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

  • Sorbyl CoA
  • hexanoyl-coenzyme a
  • 2,4-Hexadienoyl CoA
  • 2,4-Hexadienoyl-CoA
  • trans,trans-2,4-hexadienoyl-CoA
  • AC1N9ZT5
  • (2E,4E)-hexadienoyl-CoA
  • S-(2,4-hexadienoyl) CoA
  • 2trans,4trans-hexadienoyl-CoA
  • (E,E)-2,4-hexadienoyl-CoA
  • CHEBI:85439
  • (2E,4E)-hexadienoyl-coenzyme A
  • trans-2,trans-4-Hexadienoyl CoA
  • (E,E)-2,4-hexadienoyl-coenzyme A
  • 2trans,4trans-hexadienoyl-coenzyme A
  • S-(1-Oxo-2,4-hexadienyl)coenzyme A
  • CID4369238
  • trans,trans-2,4-hexadienoyl-coenzyme A
  • J358.068G
  • J827.770B
  • CID4369238; (Acyl-CoA); [M+H]+;
  • S-[(2E,4E)-1-Oxo-2,4-hexadienyl]coenzyme A
  • Q27158576
  • S-[2-[3-[[(2R)-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] (2E,4E)-hexa-2,4-dienethioate
  • HXC
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(hexa-2,4-dienoylsulfanyl)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-[(2E,4E)-hexa-2,4-dienoylsulfanyl]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-{[(2E,4E)-hexa-2,4-dienoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-[(1-oxo-2,4-hexadienyl)thio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-(1-oxo-2,4-hexadienylthio)ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-[[(2E,4E)-1-oxo-2,4-hexadien-1-yl]thio]ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester