Products 2871-66-1
CAS 2871-66-1 is the registry number for 3-Hydroxybutyryl-CoA. Offered by: MedChemExpress. Available pack sizes: 1 mg.
3-hydroxybutanoyl-CoA is a hydroxybutanoyl-CoA having 3-hydroxybutanoyl as the S-acyl component. It has a role as a mouse metabolite. It is a hydroxybutanoyl-CoA and a 3-hydroxyacyl-CoA. It is functionally related to a butyryl-CoA and a 3-hydroxybutyric acid. It is a conjugate acid of a 3-hydroxybutanoyl-CoA(4-).
Source: ChEBI
| Molecular formula | C25H42N7O18P3S |
|---|---|
| Molecular weight | 853.6 g/mol |
| IUPAC name | S-[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]ethyl] 3-hydroxybutanethioate |
| InChIKey | QHHKKMYHDBRONY-RMNRSTNRSA-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)O |
Computed by PubChem (NCBI)