Products 809281-20-7
CAS 809281-20-7 is the registry number for 2,3-Dihydroxy-2,3-dihydrobenzoyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
2,3-dihydroxy-2,3-dihydrobenzoyl-CoA is an aroyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2,3-dihydroxy-2,3-dihydrobenzoic acid. It is functionally related to a benzoyl-CoA and a 2,3-dihydroxy-2,3-dihydrobenzoic acid. It is a conjugate acid of a 2,3-dihydroxy-2,3-dihydrobenzoyl-CoA(4-).
Source: ChEBI
| Molecular formula | C28H42N7O19P3S |
|---|---|
| Molecular weight | 905.7 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] 5,6-dihydroxycyclohexa-1,3-diene-1-carbothioate |
| InChIKey | FZYRZXMIVBMRTC-JKRHTJORSA-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)C4=CC=CC(C4O)O)O |
Computed by PubChem (NCBI)