CHEBI:59233 - methoxy mycolic acid

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ChEBI Name methoxy mycolic acid
ChEBI ID CHEBI:59233
Definition A mycolic acid produced by Mycobacterium tuberculosis. Its structure is that of tetracosanoic acid substituted at position 2 by a 1-hydroxy-18-[2-(17-methoxy-18-methylhexatriacontyl)cyclopropyl]octadecyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C83H164O4
Net Charge 0
Average Mass 1226.18790
Monoisotopic Mass 1225.26296
InChI InChI=1S/C83H164O4/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-30-37-43-49-55-61-67-73-80(83(85)86)81(84)74-68-62-56-50-44-38-31-27-29-35-41-47-53-59-65-71-78-76-79(78)72-66-60-54-48-42-36-32-33-39-45-51-57-63-69-75-82(87-4)77(3)70-64-58-52-46-40-34-28-22-20-18-16-14-12-10-8-6-2/h77-82,84H,5-76H2,1-4H3,(H,85,86)
InChIKey KZLRXNDCHXPYTL-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)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 methoxy mycolic acid (CHEBI:59233) has role bacterial metabolite (CHEBI:76969)
methoxy mycolic acid (CHEBI:59233) has role epitope (CHEBI:53000)
methoxy mycolic acid (CHEBI:59233) is a mycolic acid (CHEBI:25438)
methoxy mycolic acid (CHEBI:59233) is a ultra-long-chain fatty acid (CHEBI:143004)
methoxy mycolic acid (CHEBI:59233) is conjugate base of methoxy mycolate (CHEBI:87709)
Incoming methoxy mycolate (CHEBI:87709) is conjugate acid of methoxy mycolic acid (CHEBI:59233)
IUPAC Name
2-{1-hydroxy-18-[2-(17-methoxy-18-methylhexatriacontyl)cyclopropyl]octadecyl}tetracosanoic acid
Citations Waiting for Citations Types Sources
10553679 PubMed citation Europe PMC
8917504 PubMed citation Europe PMC
Last Modified
30 January 2019