EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:134469 - glucose 6-monomycolate (C36)

ChEBI IDCHEBI:134469
ChEBI Nameglucose 6-monomycolate (C36)
Stars
DefinitionA mycolate ester formed by esterification of (2R,3R)-3-hydroxy-2-tetradecyldocosanoic acid with the 6-OH of β-D-glucose.
Last Modified8 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H82O8
Net Charge0
Average Mass715.110
Monoisotopic Mass714.60097
SMILESCCCCCCCCCCCCCCCCCCC[C@@H](O)[C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C42H82O8/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-36(43)35(32-30-28-26-24-22-16-14-12-10-8-6-4-2)41(47)49-34-37-38(44)39(45)40(46)42(48)50-37/h35-40,42-46,48H,3-34H2,1-2H3/t35-,36-,37-,38-,39+,40-,42-/m1/s1
InChIKeyYOCZDGRJDQLKHW-NDHQNRPVSA-N
ChEBI Ontology
Outgoing Relation(s)
glucose 6-monomycolate (C36) (CHEBI:134469) has functional parent D-glucopyranose (CHEBI:4167)
glucose 6-monomycolate (C36) (CHEBI:134469) is a mycolate ester (CHEBI:74253)
IUPAC Name 
6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-β-D-glucopyranose
Synonyms  Source
6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-β-D-glucoseChEBI
glucose MM (C36)ChEBI
C36 GMMPDBeChem
C36 GLUCOSE MONOMYCOLATEPDBeChem
6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranosePDBeChem
Manual XrefsDatabases
70EPDBeChem