Chemical Compound

S-[2E,4E]-Octadienoate

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S-[2E,4E]-Octadienoate chemical structure
Primary Record

S-[2E,4E]-Octadienoate

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
21252282
SMILES
CCC/C=C/C=C/C(=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
CCC/C=C/C=C/C(=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

  • S-[2E,4E]-Octadienoate
  • S-[2E,4E]-Octadienoic acid
  • S-[2E,4E]-Octadienoate CoA
  • SCHEMBL29934314
  • 2-TRANS,4-TRANS-OCTADIENOYL-COA
  • S-[2E,4E]-Octadienoate Coenzyme A
  • PubChem CID: 21252282; (Acyl-CoA); [M+H]+;
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E,4E)-octa-2,4-dienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid