Chemical Compound

Coenzyme A, S-2-octenoate

CAS Registry Number 71629-68-0
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Coenzyme A, S-2-octenoate chemical structure
Primary Record

Coenzyme A, S-2-octenoate

In stock
9,389 g
Purity
98.2 %
CAS
71629-68-0

Compound Identifiers & Properties

CAS
71629-68-0
PubChem CID
152760214
SMILES
CCCCCC=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
CCCCCC=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

  • Coenzyme A, S-2-octenoate
  • orb3022265
  • SCHEMBL1333445
  • DTXSID501318811
  • 71629-68-0
  • S-{(9R)-1-[(2R,3S,4R,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} oct-2-enethioate