Chemical Compound

3-phenylpropanoyl-CoA

CAS Registry Number 117411-09-3
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3-phenylpropanoyl-CoA chemical structure
Primary Record

3-phenylpropanoyl-CoA

In stock
737 g
Purity
98.8 %
CAS
117411-09-3

Compound Identifiers & Properties

CAS
117411-09-3
PubChem CID
25202290
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)CCC4=CC=CC=C4)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)CCc1ccccc1

Names & Synonyms

  • 3-phenylpropanoyl-CoA
  • ACMC-20mn6f
  • Coenzyme A,S-benzenepropanoate
  • PD212777
  • PubChem CID: 25202290; (Acyl-CoA); [M+H]+;
  • 117411-09-3