CHEBI:59235 - α-mycolic acid

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ChEBI Name α-mycolic acid
ChEBI ID CHEBI:59235
ChEBI ASCII Name alpha-mycolic acid
Definition A mycolic acid produced by Mycobacterium tuberculosis. Its structure is that of hexacosanoic acid substituted at position 2 by a 1-hydroxy-16-{2-[14-(2-octadecylcyclopropyl)tetradecyl]cyclopropyl}hexadecyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C80H156O3
Net Charge 0
Average Mass 1166.09280
Monoisotopic Mass 1165.20545
InChI InChI=1S/C80H156O3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-32-40-46-52-58-64-70-78(80(82)83)79(81)71-65-59-53-47-41-33-29-31-37-43-49-55-61-67-75-73-77(75)69-63-57-51-45-39-35-34-38-44-50-56-62-68-76-72-74(76)66-60-54-48-42-36-30-27-20-18-16-14-12-10-8-6-4-2/h74-79,81H,3-73H2,1-2H3,(H,82,83)
InChIKey PBYNMDCXAUWQCG-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC)C(O)=O
Metabolite of Species Details
Mycobacterium tuberculosis (NCBI:txid1773) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing α-mycolic acid (CHEBI:59235) has role bacterial metabolite (CHEBI:76969)
α-mycolic acid (CHEBI:59235) has role epitope (CHEBI:53000)
α-mycolic acid (CHEBI:59235) is a mycolic acid (CHEBI:25438)
IUPAC Name
2-(1-hydroxy-16-{2-[14-(2-octadecylcyclopropyl)tetradecyl]cyclopropyl}hexadecyl)hexacosanoic acid
Citations Waiting for Citations Types Sources
10553679 PubMed citation Europe PMC
8917504 PubMed citation Europe PMC
Last Modified
23 August 2016