Products 521064-45-9
CAS 521064-45-9 is the registry number for (E)-2-Benzylidenesuccinyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
(E)-2-benzylidenesuccinyl-CoA is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-2-benzylidenesuccinic acid. It is a conjugate acid of an (E)-2-benzylidenesuccinyl-CoA(5-).
Source: ChEBI
| Molecular formula | C32H44N7O19P3S |
|---|---|
| Molecular weight | 955.7 g/mol |
| IUPAC name | (E)-3-[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]ethylsulfanylcarbonyl]-4-phenylbut-3-enoic acid |
| InChIKey | CIZCKPNGZPENDV-RUCZCKOISA-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/C4=CC=CC=C4)/CC(=O)O)O |
Computed by PubChem (NCBI)