Chemical Compound

9-{5-O-[{[(3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(3-hydroxy-2-phenylpropanoyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine

CAS Registry Number 74717-87-6
9-{5-O-[{[(3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(3-hydroxy-2-phenylpropanoyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine 结构式
Primary record

9-{5-O-[{[(3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(3-hydroxy-2-phenylpropanoyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine

库存
6,862 克
纯度
99.3 %
CAS
74717-87-6

化合物标识与属性

CAS
74717-87-6
PubChem CID
194608
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)C(CO)C4=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)C(CO)c1ccccc1

名称与同义词

  • Tropoyl-coa
  • Tropoyl-coenzyme A
  • Coenzyme A, tropoyl-
  • RefChem:933578
  • AC1L4YL1
  • DTXSID10996248
  • CID194608
  • Tropoyl-CoA; (Acyl-CoA); [M+H]+;
  • 74717-87-6
  • Coenzyme A, S-(alpha-(hydroxymethyl)benzeneacetate)
  • Coenzyme A, S-[a-(hydroxymethyl)benzeneacetate](9CI)
  • S-[2-[3-[[4-[[[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-hydroxy-2-phenylpropanethioate
  • 9-{5-O-[{[(3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(3-hydroxy-2-phenylpropanoyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine