Chemical Compound

Coenzyme A,S-3-dodecenoate

CAS Registry Number 2152-91-2
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Coenzyme A,S-3-dodecenoate chemical structure
Primary Record

Coenzyme A,S-3-dodecenoate

In stock
7,314 g
Purity
99.5 %
CAS
2152-91-2

Compound Identifiers & Properties

CAS
2152-91-2
PubChem CID
57371019
SMILES
CCCCCCCCC=CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
Canonical SMILES
CCCCCCCCC=CCC(=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(O)[C@H]1OP(=O)(O)O

Names & Synonyms

  • Coenzyme A,S-3-dodecenoate
  • CTK4E7050
  • DTXSID70724862
  • Coenzyme A,S-3-dodecenoate, (Z)- (8CI,9CI)
  • 2152-91-2
  • S-[2-[3-[[(2R)-4-[[[(2R,3R,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] dodec-3-enethioate
  • S-{(9R)-1-[(2R,3R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} dodec-3-enethioate