Chemical Compound

3-Fluorobenzoyl-CoA

3-Fluorobenzoyl-CoA chemical structure
Primary Record

3-Fluorobenzoyl-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
162370995
SMILES
CC(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-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CC(=CC=C4)F)O
Canonical SMILES
CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(F)c1

Names & Synonyms

  • 3-Fluorobenzoyl-CoA
  • m-fluorobenzoyl-CoA(4-)
  • 3-fluorobenzoyl-CoA(4-)
  • CHEBI:188474