CAS 10478-66-7 appears in our catalog under these names: 2-hydroxybenzoyl Coenzyme A, ≥ 95%, 2-Hydroxybenzoyl-CoA. Offered by: Chemat Brand, MedChemExpress. Available pack sizes: 10mg, 25mg, Get quote.
2-hydroxybenzoyl-CoA is a hydroxybenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxybenzoic acid. It is functionally related to a benzoyl-CoA and a salicylic acid. It is a conjugate acid of a 2-hydroxybenzoyl-CoA(4-).
Source: ChEBI
| Molecular formula | C28H40N7O18P3S |
|---|---|
| Molecular weight | 887.6 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] 2-hydroxybenzenecarbothioate |
| InChIKey | YTKKDFTVSNSVEE-TYHXJLICSA-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 |
Computed by PubChem (NCBI)