Chemical Compound

4-hydroxybenzoyl CoA

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4-hydroxybenzoyl CoA chemical structure
Primary Record

4-hydroxybenzoyl CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
101697023
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)NSC(=O)C4=CC=C(C=C4)O)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)NSC(=O)c1ccc(O)cc1

Names & Synonyms

  • 4-hydroxybenzoyl CoA
  • 4-hydroxybenzoyl-CoA
  • J727.498J
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(4-hydroxybenzoylsulfanyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[(4-hydroxybenzoylthio)carbamoyl]ethyl]carbamoyl]propyl]] ester