Products 78901-91-4
CAS 78901-91-4 is the registry number for S-(4-Carboxy-3-hydroxy-3-methylbutyl)-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
(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 78901-91-4) is a chemical compound with the molecular formula C27H46N7O19P3S and a molecular weight of 897.7 g/mol. IUPAC name: (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. InChIKey: WJVWFKKGYOZUEZ-PQMUVBQJSA-N.
| Molecular formula | C27H46N7O19P3S |
|---|---|
| Molecular weight | 897.7 g/mol |
| IUPAC name | (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 |
| InChIKey | WJVWFKKGYOZUEZ-PQMUVBQJSA-N |
| 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 |
Computed by PubChem (NCBI)