Chemical Compound

5'-O-{[({[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-3-phenylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphinato)oxy]phosphinato}-3'-O-phosphonatoadenosine

5'-O-{[({[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-3-phenylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphinato)oxy]phosphinato}-3'-O-phosphonatoadenosine 结构式
Primary record

5'-O-{[({[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-3-phenylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphinato)oxy]phosphinato}-3'-O-phosphonatoadenosine

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
70680322
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)CC(C4=CC=CC=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)NCCSC(=O)CC(O)c1ccccc1

名称与同义词

  • beta-hydroxyphenyl-propionyl-CoA
  • 3-hydroxy-3-phenylpropanoyl-CoA
  • 3-hydroxy-3-phenylpropionyl-CoA
  • CHEBI:71294
  • 3-hydroxy-3-phenylpropionyl-CoA(4-)
  • beta-hydroxyphenylpropanoyl-CoA(4-)
  • beta-hydroxyphenylpropionyl-CoA(4-)
  • 3-hydroxy-3-phenylpropanoyl-CoA(4-)
  • 3-hydroxy-3-phenylpropionyl-coenzyme A
  • beta-hydroxyphenylpropanoyl-coenzyme A(4-)
  • beta-hydroxyphenylpropionyl-coenzyme A(4-)
  • 3-hydroxy-3-phenylpropanoyl-coenzyme A(4-)
  • 3-hydroxy-3-phenylpropionyl-coenzyme A(4-)
  • Q27139492
  • 5'-O-{[({[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-3-phenylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphinato)oxy]phosphinato}-3'-O-phosphonatoadenosine