CHEBI:87703 - dihydroxy mycolic acid

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ChEBI Name dihydroxy mycolic acid
ChEBI ID CHEBI:87703
Definition A 3-hydroxy fatty acid produced by Mycobacterium tuberculosis.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
Download Molfile XML SDF
Formula C82H162O4
Net Charge 0
Average Mass 1212.164
Monoisotopic Mass 1211.24731
InChI InChI=1S/C82H162O4/c1-4-6-8-10-12-14-16-18-20-22-23-24-25-29-36-42-48-54-60-66-72-79(82(85)86)81(84)74-68-62-56-50-44-38-30-26-28-34-40-46-52-58-64-70-77-75-78(77)71-65-59-53-47-41-35-31-32-37-43-49-55-61-67-73-80(83)76(3)69-63-57-51-45-39-33-27-21-19-17-15-13-11-9-7-5-2/h76-81,83-84H,4-75H2,1-3H3,(H,85,86)
InChIKey UWUJGRILHQLZMR-UHFFFAOYSA-N
SMILES C(CCCCCCCCC(C)C(O)CCCCCCCCCCCCCCCCC1C(CCCCCCCCCCCCCCCCCC(O)C(C(O)=O)CCCCCCCCCCCCCCCCCCCCCC)C1)CCCCCCCCC
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dihydroxy mycolic acid (CHEBI:87703) has role bacterial metabolite (CHEBI:76969)
dihydroxy mycolic acid (CHEBI:87703) is a 3-hydroxy fatty acid (CHEBI:59845)
dihydroxy mycolic acid (CHEBI:87703) is a mycolic acid (CHEBI:25438)
dihydroxy mycolic acid (CHEBI:87703) is a ultra-long-chain fatty acid (CHEBI:143004)
dihydroxy mycolic acid (CHEBI:87703) is conjugate acid of dihydroxy mycolate (CHEBI:87706)
Incoming dihydroxy mycolate (CHEBI:87706) is conjugate base of dihydroxy mycolic acid (CHEBI:87703)
IUPAC Name
2-{1-hydroxy-18-[2-(17-hydroxy-18-methylhexatriacontyl)cyclopropyl]octadecyl}tetracosanoic acid
Citations Waiting for Citations Types Sources
24349169 PubMed citation SUBMITTER
9461299 PubMed citation SUBMITTER
Last Modified
30 January 2019