Chemical Compound

Valproyldephospho CoA

Valproyldephospho CoA chemical structure
Primary Record

Valproyldephospho CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
101432388
SMILES
CCCC(CCC)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O)O
Canonical SMILES
CCCC(CCC)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

Names & Synonyms

  • Valproyldephospho CoA
  • J2.510.173A
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-propylpentanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphinic acid
  • Adenosine 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-(2-propylpentanoylthio)ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester