Chemical Compound

3-Chlorobenzoyl CoA

CAS Registry Number 117411-08-2
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3-Chlorobenzoyl CoA chemical structure
Primary Record

3-Chlorobenzoyl CoA

In stock
6,852 g
Purity
98.3 %
CAS
117411-08-2

Compound Identifiers & Properties

CAS
117411-08-2
PubChem CID
101119575
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)Cl)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(Cl)c1

Names & Synonyms

  • 3-Chlorobenzoyl CoA
  • orb3022260
  • J1.576.408B
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(3-chlorobenzoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
  • 117411-08-2
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-(3-chlorobenzoylthio)ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester