Primary record
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(pentanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- 库存
- 2,467 克
- 纯度
- 98.1 %
- CAS
- 4752-33-4
化合物标识与属性
- CAS
- 4752-33-4
- PubChem CID
- 439337
- SMILES
- CCCCC(=O)SCCNC(=O)CCNC(=O)C(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
- CCCCC(=O)SCCNC(=O)CCNC(=O)C(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
- Pentanoyl-CoA
- Valeryl CoA
- pentanoyl-coenzyme A
- Valeryl coenzyme A
- AC1L975Q
- SCHEMBL27830848
- DTXSID40963867
- CID439337
- Pentanoyl-CoA; (Acyl-CoA); [M+H]+;
- J363.722K
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(pentanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- 4752-33-4
- 5'-O-[{[{3,4-Dihydroxy-4-[(3-hydroxy-3-{[2-(pentanoylsulfanyl)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-(pentanoylsulfanyl)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 P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(valerylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
- S-[2-[3-[[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] pentanethioate