Primary record
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] 3-oxopent-4-enethioate
- 库存
- 9,365 克
- 纯度
- 99.4 %
- CAS
- 80724-14-7
化合物标识与属性
- CAS
- 80724-14-7
- PubChem CID
- 157435
- SMILES
- CC(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)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)C=C)O
- Canonical SMILES
- C=CC(=O)CC(=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
- 3-Keto-4-pentenoyl-coa
- 3-Keto-4-pentenoyl-coenzyme A
- RefChem:911457
- Coenzyme A, 3-keto-4-pentenoyl-
- AC1L4I13
- SCHEMBL27991579
- C26H40N7O18P3S
- DTXSID401001445
- Coenzyme A, S-(3-oxo-4-pentenoate)
- CID157435
- C26-H40-N7-O18-P3-S
- 80724-14-7
- 3-Keto-4-pentenoyl-CoA; (Acyl-CoA); [M+H]+;
- 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] 3-oxopent-4-enethioate
- 5'-O-[{[(3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(3-oxopent-4-enoyl)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-oxopent-4-enoyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine