Chemical Compound

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]ethylsulfanyl pent-2-ynoate

CAS Registry Number 98482-18-9
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]ethylsulfanyl pent-2-ynoate 结构式
Primary record

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]ethylsulfanyl pent-2-ynoate

库存
4,369 克
纯度
99.3 %
CAS
98482-18-9

化合物标识与属性

CAS
98482-18-9
PubChem CID
192250
SMILES
CCC#CC(=O)OSCCNC(=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)OP(=O)(O)O)O
Canonical SMILES
CCC#CC(=O)OSCCNC(=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]1OP(=O)(O)O

名称与同义词

  • 2-Pentynoyl coa
  • 2-Pentynoyl-coenzyme A
  • Coenzyme A, 2-pentynoyl
  • RefChem:910198
  • AC1L4U08
  • DTXSID80913260
  • CID192250
  • 2-Pentynoyl CoA; (Acyl-CoA); [M+H]+;
  • 98482-18-9
  • 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]ethylsulfanyl pent-2-ynoate
  • 5'-O-{Hydroxy[(hydroxy{[(3R)-3,4,8-trihydroxy-2,2-dimethyl-14-oxo-13-oxa-12-thia-5,9-diazaoctadeca-4,8-dien-15-yn-1-yl]oxy}phosphoryl)oxy]phosphoryl}adenosine 3'-(dihydrogen phosphate)
  • 9-{5-O-[Hydroxy({hydroxy[(3,4,8-trihydroxy-2,2-dimethyl-14-oxo-13-oxa-12-thia-5,9-diazaoctadeca-4,8-dien-15-yn-1-yl)oxy]phosphoryl}oxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine