2-Hydroxybenzoyl-CoA

cas: 10478-66-7 — see every product listed under this CAS number, including other names

2-Hydroxybenzoyl-CoA (CAS 10478-66-7) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-CE00775-Get quote
cas10478-66-7
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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

Identity
Molecular formulaC28H40N7O18P3S
Molecular weight887.6 g/mol
IUPAC nameS-[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
InChIKeyYTKKDFTVSNSVEE-TYHXJLICSA-N
SMILESCC(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)

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