Products 72059-49-5
CAS 72059-49-5 is the registry number for S-(3-Hydroxydodecanoate)-CoA. Offered by: MedChemExpress. Available pack sizes: 1 mg.
S-[2-[3-[[4-[[[(2R,3R,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] (3S)-3-hydroxydodecanethioate (CAS 72059-49-5) is a chemical compound with the molecular formula C33H58N7O18P3S and a molecular weight of 965.8 g/mol. IUPAC name: S-[2-[3-[[4-[[[(2R,3R,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] (3S)-3-hydroxydodecanethioate. InChIKey: IJFLXRCJWPKGKJ-QHZPGZSXSA-N.
| Molecular formula | C33H58N7O18P3S |
|---|---|
| Molecular weight | 965.8 g/mol |
| IUPAC name | S-[2-[3-[[4-[[[(2R,3R,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] (3S)-3-hydroxydodecanethioate |
| InChIKey | IJFLXRCJWPKGKJ-QHZPGZSXSA-N |
| SMILES | CCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(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)O |
Computed by PubChem (NCBI)