Chemical Compound

3-Chloropropionyl-coenzyme A

CAS Registry Number 96212-36-1
3-Chloropropionyl-coenzyme A chemical structure
Primary Record

3-Chloropropionyl-coenzyme A

In stock
9,499 g
Purity
98.4 %
CAS
96212-36-1

Compound Identifiers & Properties

CAS
96212-36-1
PubChem CID
134613196
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)CCCl)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)CCCl

Names & Synonyms

  • 3-Chloropropionyl-coenzyme A
  • 96212-36-1