3-Hydroxybenzoyl coenzyme A

cas: 52301-52-7 — see every product listed under this CAS number, including other names

3-Hydroxybenzoyl coenzyme A (CAS 52301-52-7) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 50mg, 100mg. Offered by: Biosynth.

brandBiosynth
catalog numberCCA30152-25mg
cas52301-52-7
size25mg
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properties

categoryLife Sciences
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

3-hydroxybenzoyl-CoA is a hydroxybenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-hydroxybenzoic acid. It is functionally related to a benzoyl-CoA and a 3-hydroxybenzoic acid. It is a conjugate acid of a 3-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] 3-hydroxybenzenecarbothioate
InChIKeyJTBCMZVWWNFUFR-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=C4)O)O

Computed by PubChem (NCBI)

Synonyms: 3-Hydroxybenzoyl-CoA, 3-hydroxybenzoyl-coenzyme A, coenzyme A, 3-hydroxybenzoyl-, 3-Hydroxybenzoyl Coenzyme A, m-hydroxybenzoyl-CoA, m-hydroxybenzoyl-coenzyme A, (3-Hydroxybenzoyl)-CoA
Related forms of this compound
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] 3-hydroxybenzenecarbothioate C28H40N7O18P3S
Isomers (same molecular formula)
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 C28H40N7O18P3S
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] 4-hydroxybenzenecarbothioate C28H40N7O18P3S