Chemical Compound

3-Chloropropionyl-coa

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

3-Chloropropionyl-coa

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

Compound Identifiers & Properties

CAS
96212-36-1
PubChem CID
57357000
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-coa
  • S-3-Chloropropionyl CoA
  • 3-Chloropropionyl-coenzyme A
  • Coenzyme A, 3-chloropropionyl-
  • SCHEMBL18038084
  • CTK5H8627
  • J1.328.471G
  • 96212-36-1
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(3-chloropropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-(3-chloropropionylthio)ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester