Primary record
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate
- 库存
- 4,430 克
- 纯度
- 99.1 %
- CAS
- 81790-81-0
化合物标识与属性
- CAS
- 81790-81-0
- PubChem CID
- 196206
- SMILES
- CC(=O)CCSCCNC(=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
- CC(=O)CCSCCNC(=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
- S-(3-Oxobutyl)coa
- Coenzyme A, S-(3-oxobutyl)
- S-(3-Oxobutyl)coenzyme A
- RefChem:931063
- AC1L51BS
- Coenzyme A, S-(3-oxobutyl)-
- SCHEMBL2110074
- CTK5E9116
- DTXSID301002226
- CID196206
- Coenzyme A,S-(3-oxobutyl)- (9CI)
- 81790-81-0
- S-(3-Oxobutyl)CoA; (Acyl-CoA); [M+H]+;
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate
- 5'-O-[({[(3R)-3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(3-oxobutyl)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-oxobutyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine