Products 449141-77-9
CAS 449141-77-9 is the registry number for 2-Hydroxy-3-methylbutanedioyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
4-[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]-2-hydroxy-3-methyl-4-oxobutanoic acid (CAS 449141-77-9) is a chemical compound with the molecular formula C26H42N7O20P3S and a molecular weight of 897.6 g/mol. IUPAC name: 4-[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]-2-hydroxy-3-methyl-4-oxobutanoic acid. InChIKey: OTENCPQKSBPYCM-QIOOEBDLSA-N.
| Molecular formula | C26H42N7O20P3S |
|---|---|
| Molecular weight | 897.6 g/mol |
| IUPAC name | 4-[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]-2-hydroxy-3-methyl-4-oxobutanoic acid |
| InChIKey | OTENCPQKSBPYCM-QIOOEBDLSA-N |
| SMILES | CC(C(C(=O)O)O)C(=O)SCCNC(=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 |
Computed by PubChem (NCBI)
Synonyms:
2-hydroxy-3-methylbutanedioyl-CoA, orb3022187