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CHEBI:90348 - glucose 6-monomycolate (C85)

ChEBI IDCHEBI:90348
ChEBI Nameglucose 6-monomycolate (C85)
Stars
ASCII Nameglucose 6-monomycolate (C85)
DefinitionA mycolate ester formed by esterification of (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid with the 6-OH of D-glucose.
Last Modified12 November 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC91H178O9
Net Charge0
Average Mass1416.416
Monoisotopic Mass1415.34709
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C91H178O9/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-30-34-38-45-51-57-63-69-75-83(90(96)99-79-86-87(93)88(94)89(95)91(97)100-86)84(92)76-70-64-58-52-46-41-40-44-50-56-62-68-74-82-78-81(82)73-67-61-55-49-43-37-33-29-28-31-35-39-47-53-59-65-71-77-85(98-4)80(3)72-66-60-54-48-42-36-32-22-20-18-16-14-12-10-8-6-2/h80-89,91-95,97H,5-79H2,1-4H3/t80?,81?,82?,83-,84-,85?,86-,87-,88+,89-,91-/m1/s1
InChIKeyRGSQZMPMFUCINU-SXBJGZNFSA-N
Species of MetaboliteComponentSourceComments
Mycobacterium tuberculosis (ncbitaxon:1773) - PubMed (26466957)
Roles Classification
Biological Role:
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).
ChEBI Ontology
Outgoing Relation(s)
glucose 6-monomycolate (C85) (CHEBI:90348) has functional parent (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid (CHEBI:90325)
glucose 6-monomycolate (C85) (CHEBI:90348) has functional parent D-glucopyranose (CHEBI:4167)
glucose 6-monomycolate (C85) (CHEBI:90348) has role antigen (CHEBI:59132)
glucose 6-monomycolate (C85) (CHEBI:90348) is a mycolate ester (CHEBI:74253)
IUPAC Name 
6-O-[(2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoyl]-D-glucopyranose
Synonyms  Source
glucose 6-monomycolate (C85)ChEBI
GMMChEBI
Citations