CHEBI:90345 - glycerol monomycolate (C85)

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ChEBI Name glycerol monomycolate (C85)
ChEBI ID CHEBI:90345
ChEBI ASCII Name glycerol monomycolate (C85)
Definition A mycolate ester formed by esterification of (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid with the 1-OH of glycerol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C88H174O6
Net Charge 0
Average Mass 1328.323
Monoisotopic Mass 1327.33104
InChI InChI=1S/C88H174O6/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-30-34-38-45-51-57-63-69-75-85(88(92)94-80-84(90)79-89)86(91)76-70-64-58-52-46-41-40-44-50-56-62-68-74-83-78-82(83)73-67-61-55-49-43-37-33-29-28-31-35-39-47-53-59-65-71-77-87(93-4)81(3)72-66-60-54-48-42-36-32-22-20-18-16-14-12-10-8-6-2/h81-87,89-91H,5-80H2,1-4H3/t81?,82?,83?,84?,85-,86-,87?/m1/s1
InChIKey VQJLNJJDZHRPSJ-ZIWZMFKNSA-N
SMILES C(CC(C(CCCCCCCCCCCCCCCCCCCC1C(CCCCCCCCCCCCCC[C@@H](O)[C@H](C(=O)OCC(O)CO)CCCCCCCCCCCCCCCCCCCCCCCC)C1)OC)C)CCCCCCCCCCCCCCCC
Metabolite of Species Details
Mycobacterium tuberculosis (NCBI:txid1773) See: PubMed
Roles Classification
Biological Role(s): antigen
Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing glycerol monomycolate (C85) (CHEBI:90345) has functional parent (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid (CHEBI:90325)
glycerol monomycolate (C85) (CHEBI:90345) has functional parent glycerol (CHEBI:17754)
glycerol monomycolate (C85) (CHEBI:90345) has role antigen (CHEBI:59132)
glycerol monomycolate (C85) (CHEBI:90345) is a mycolate ester (CHEBI:74253)
IUPAC Name
2,3-dihydroxypropyl (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoate
Synonyms Sources
glycerol monomycolate (C85) ChEBI
GroMM ChEBI
Citation Waiting for Citations Type Source
26466957 PubMed citation Europe PMC
Last Modified
12 November 2015