EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:74255 - C80 D-glucose mono(keto-meromycolate)

ChEBI IDCHEBI:74255
ChEBI NameC80 D-glucose mono(keto-meromycolate)
Stars
ASCII NameC80 D-glucose mono(keto-meromycolate)
DefinitionA mycolate ester formed by esterification of keto-meromycolic acid with the 6-OH of D-glucose.
Last Modified21 June 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC87H168O9
Net Charge0
Average Mass1358.292
Monoisotopic Mass1357.26884
SMILESCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O)C(O)CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C87H168O9/c1-4-6-8-10-12-14-16-18-20-22-23-24-26-30-34-41-47-53-59-65-71-79(86(93)95-75-82-83(90)84(91)85(92)87(94)96-82)81(89)73-67-61-55-49-43-37-36-40-46-52-58-64-70-78-74-77(78)69-63-57-51-45-39-33-29-27-31-35-42-48-54-60-66-72-80(88)76(3)68-62-56-50-44-38-32-28-25-21-19-17-15-13-11-9-7-5-2/h76-79,81-85,87,89-92,94H,4-75H2,1-3H3/t76?,77?,78?,79?,81?,82-,83-,84+,85-,87?/m1/s1
InChIKeyGQOCANLLJRGUJC-RBHQRKGFSA-N
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)
C80 D-glucose mono(keto-meromycolate) (CHEBI:74255) has functional parent D-glucopyranose (CHEBI:4167)
C80 D-glucose mono(keto-meromycolate) (CHEBI:74255) has functional parent keto-meromycolic acid (CHEBI:74248)
C80 D-glucose mono(keto-meromycolate) (CHEBI:74255) has role antigen (CHEBI:59132)
C80 D-glucose mono(keto-meromycolate) (CHEBI:74255) is a mycolate ester (CHEBI:74253)
IUPAC Name 
6-O-(2-{1-hydroxy-15-[2-(19-methyl-18-oxooctatriacontyl)cyclopropyl]pentadecyl}tetracosanoyl)-D-glucopyranose
Citations