Chemical Compound

Fluoroacetyl-coenzyme A

CAS Registry Number 485-13-2
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Fluoroacetyl-coenzyme A chemical structure
Primary Record

Fluoroacetyl-coenzyme A

In stock
3,783 g
Purity
99.2 %
CAS
485-13-2

Compound Identifiers & Properties

CAS
485-13-2
PubChem CID
75307974
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CF)O
Canonical SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CF

Names & Synonyms

  • Fluoroacetyl-coenzyme A
  • SCHEMBL17921434
  • Coenzyme A, S-(2-fluoroacetate)
  • DTXSID801304093
  • 485-13-2
  • S-{1-[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} fluoroethanethioate