Products 404576-13-2
CAS 404576-13-2 is the registry number for 3,5-Dihydroxyphenylacetyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
3,5-dihydroxyphenylacetyl-CoA is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3,5-dihydroxyphenylacetic acid. It is a conjugate acid of a 3,5-dihydroxyphenylacetyl-CoA(4-).
Source: ChEBI
| Molecular formula | C29H42N7O19P3S |
|---|---|
| Molecular weight | 917.7 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] 2-(3,5-dihydroxyphenyl)ethanethioate |
| InChIKey | MAFTTXQJASXWBB-CECATXLMSA-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)CC4=CC(=CC(=C4)O)O)O |
Computed by PubChem (NCBI)
Synonyms:
3,5-Dihydroxyphenylacetyl-CoA, orb3022202