Chemical Compound

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-phenylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

CAS Registry Number 117411-09-3
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{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-phenylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid 结构式
Primary record

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-phenylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

库存
737 克
纯度
98.8 %
CAS
117411-09-3

化合物标识与属性

CAS
117411-09-3
PubChem CID
3081660
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)CCC4=CC=CC=C4)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)CCc1ccccc1

名称与同义词

  • Phenylpropionyl-coa
  • 3-phenylpropanoyl-CoA
  • Phenylpropionyl-coenzyme A
  • dihydrocinnamoyl-CoA
  • Coenzyme A, phenylpropionyl-
  • 3-phenylpropionyl-CoA
  • 3-Phenylpropionyl CoA
  • AC1MIXBF
  • RefChem:918906
  • Coenzyme A, S-benzenepropanoate
  • dihydrocinnamoyl-coenzyme A
  • 3-phenylpropionyl-coenzyme A
  • Coenzyme A,S-benzenepropanoate
  • SCHEMBL1490244
  • SCHEMBL29782995
  • CHEBI:85675
  • CTK4B0271
  • S-(3-Phenylpropionyl)coenzyme A
  • C30H44N7O17P3S
  • DTXSID50922420
  • 117411-09-3
  • CID3081660
  • C30-H44-N7-O17-P3-S
  • PD212776
  • J1.050.826F
  • Phenylpropionyl-CoA; (Acyl-CoA); [M+H]+;
  • S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-phenylpropanethioate
  • Q27158699
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-phenylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-phenylpropanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl]dihydrogen diphosphate}
  • 5'-O-[({[(3R)-3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(3-phenylpropanoyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
  • 9-{5-O-[{[(3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(3-phenylpropanoyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-(3-phenylpropionylthio)ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester