Products 1245946-28-4
CAS 1245946-28-4 is the registry number for (3S)-3-Hydroxyadipyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
(4S)-6-[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-hydroxy-6-oxohexanoic acid (CAS 1245946-28-4) is a chemical compound with the molecular formula C27H44N7O20P3S and a molecular weight of 911.7 g/mol. IUPAC name: (4S)-6-[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-hydroxy-6-oxohexanoic acid. InChIKey: OTEACGAEDCIMBS-NOTSHUFBSA-N.
| Molecular formula | C27H44N7O20P3S |
|---|---|
| Molecular weight | 911.7 g/mol |
| IUPAC name | (4S)-6-[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-hydroxy-6-oxohexanoic acid |
| InChIKey | OTEACGAEDCIMBS-NOTSHUFBSA-N |
| 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@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](CCC(=O)O)O)O |
Computed by PubChem (NCBI)
Synonyms:
(3S)-3-Hydroxyadipyl-CoA, orb3022279