Products 123052-16-4
CAS 123052-16-4 is the registry number for 3-(Methylthio)acryloyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
3-(methylthio)acryloyl-CoA is an acyl-CoA thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-(methylthio)acrylic acid. It is a conjugate acid of a 3-(methylthio)acryloyl-CoA(4-).
Source: ChEBI
| Molecular formula | C25H40N7O17P3S2 |
|---|---|
| Molecular weight | 867.7 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] (E)-3-methylsulfanylprop-2-enethioate |
| InChIKey | ZGBNNHAIMKRDOC-CABWFRLRSA-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/SC)O |
Computed by PubChem (NCBI)