Chemical Compound
(3R)-5-[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]-3-hydroxy-3-methylpentanoic acid
CAS Registry Number
78901-91-4
Primary record
(3R)-5-[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]-3-hydroxy-3-methylpentanoic acid
- 库存
- 2,919 克
- 纯度
- 99.2 %
- CAS
- 78901-91-4
化合物标识与属性
- CAS
- 78901-91-4
- PubChem CID
- 196120
- SMILES
- C[C@](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)(CC(=O)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)NCCSCC[C@](C)(O)CC(=O)O
名称与同义词
- Hmcb-coa
- RefChem:911362
- 3-Hydroxy-3-methyl-4-carboxybutyl-coa
- AC1L516S
- DTXSID401000130
- CID196120
- Coenzyme A, 3-hydroxy-3-methyl-4-carboxybutyl-
- 3-Hydroxy-3-methyl-4-carboxybutyl-coenzyme A
- Hmcb-CoA; (Acyl-CoA); [M+H]+;
- 78901-91-4
- Coenzyme A, S-(4-carboxy-3-hydroxy-3-methylbutyl)-
- (3R)-5-[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]-3-hydroxy-3-methylpentanoic acid
- 5'-O-[({[(3R)-4-({3-[(2-{[(3R)-4-Carboxy-3-hydroxy-3-methylbutyl]sulfanyl}ethyl)imino]-3-hydroxypropyl}imino)-3,4-dihydroxy-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
- 9-{5-O-[{[(4-{[3-({2-[(4-Carboxy-3-hydroxy-3-methylbutyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine