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CHEBI:32587 - 2-hydroxybenzoyl-CoA

Default Structure
ChEBI IDCHEBI:32587
ChEBI Name2-hydroxybenzoyl-CoA
Stars
DefinitionA hydroxybenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxybenzoic acid.
Secondary ChEBI IDCHEBI:165618
Last Modified11 February 2026
SubmitterMarcus Ennis, MetaboLights
DownloadsMolfile
FormulaC28H40N7O18P3S
Net Charge0
Average Mass887.648
Monoisotopic Mass887.13634
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O
InChIInChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1
InChIKeyYTKKDFTVSNSVEE-TYHXJLICSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxybenzoyl-CoA (CHEBI:32587) has functional parent benzoyl-CoA (CHEBI:15515)
2-hydroxybenzoyl-CoA (CHEBI:32587) has functional parent salicylic acid (CHEBI:16914)
2-hydroxybenzoyl-CoA (CHEBI:32587) is a hydroxybenzoyl-CoA (CHEBI:24678)
2-hydroxybenzoyl-CoA (CHEBI:32587) is conjugate acid of 2-hydroxybenzoyl-CoA(4−) (CHEBI:67148)
Incoming Relation(s)
2-hydroxybenzoyl-CoA(4−) (CHEBI:67148) is conjugate base of 2-hydroxybenzoyl-CoA (CHEBI:32587)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2-hydroxybenzoyl-coenzyme AChEBI
o-hydroxybenzoyl-CoAChEBI
o-hydroxybenzoyl-coenzyme AChEBI
salicoyl-CoAChEBI
salicoyl-coenzyme AChEBI
salicyl-CoAChEBI
Manual XrefsDatabases
10140288ChemSpider
2NEPDBeChem
C20394KEGG COMPOUND
FDB028334FooDB
HMDB0011636HMDB
LMFA07050367LIPID MAPS
Registry NumbersSources
Reaxys:20087216Reaxys
CAS:10478-66-7HMDB
Citations