CHEBI:15484 - 3-hydroxybenzoyl-CoA

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ChEBI Name 3-hydroxybenzoyl-CoA
ChEBI ID CHEBI:15484
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11829, CHEBI:20065, CHEBI:1539
Supplier Information ZINC000096068396
Download Molfile XML SDF
Formula C28H40N7O18P3S
Net Charge 0
Average Mass 887.64086
Monoisotopic Mass 887.13634
InChI InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-7-6-18(37)30-8-9-57-27(41)15-4-3-5-16(36)10-15)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/h3-5,10,13-14,17,20-22,26,36,38-39H,6-9,11-12H2,1-2H3,(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
InChIKey JTBCMZVWWNFUFR-TYHXJLICSA-N
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-hydroxybenzoyl-CoA (CHEBI:15484) has functional parent 3-hydroxybenzoic acid (CHEBI:30764)
3-hydroxybenzoyl-CoA (CHEBI:15484) has functional parent benzoyl-CoA (CHEBI:15515)
3-hydroxybenzoyl-CoA (CHEBI:15484) is a hydroxybenzoyl-CoA (CHEBI:24678)
3-hydroxybenzoyl-CoA (CHEBI:15484) is conjugate acid of 3-hydroxybenzoyl-CoA(4−) (CHEBI:57342)
Incoming 3-hydroxybenzoyl-CoA(4−) (CHEBI:57342) is conjugate base of 3-hydroxybenzoyl-CoA (CHEBI:15484)
IUPAC Name
3'-phosphoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(3-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate]
Synonyms Sources
3-Hydroxybenzoyl-CoA KEGG COMPOUND
3-hydroxybenzoyl-coenzyme A ChEBI
m-hydroxybenzoyl-CoA ChEBI
m-hydroxybenzoyl-coenzyme A ChEBI
Manual Xref Database
C05195 KEGG COMPOUND
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Citations Types Sources
10816048 PubMed citation Europe PMC
11222587 PubMed citation Europe PMC
12076800 PubMed citation Europe PMC
12846828 PubMed citation Europe PMC
18156265 PubMed citation Europe PMC
19710020 PubMed citation Europe PMC
8335640 PubMed citation Europe PMC
Last Modified
22 April 2015