Products 313250-63-4
CAS 313250-63-4 is the registry number for 3-(4-Sulfophenyl)butyrate-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
4-[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]-4-oxobutan-2-yl]benzenesulfonic acid (CAS 313250-63-4) is a chemical compound with the molecular formula C31H46N7O20P3S2 and a molecular weight of 993.8 g/mol. IUPAC name: 4-[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]-4-oxobutan-2-yl]benzenesulfonic acid. InChIKey: NKODEEZTZHXRHR-SOHGBHMBSA-N.
| Molecular formula | C31H46N7O20P3S2 |
|---|---|
| Molecular weight | 993.8 g/mol |
| IUPAC name | 4-[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]-4-oxobutan-2-yl]benzenesulfonic acid |
| InChIKey | NKODEEZTZHXRHR-SOHGBHMBSA-N |
| SMILES | CC(CC(=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)C4=CC=C(C=C4)S(=O)(=O)O |
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