EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:60925 - glucose 6-monomycolate (C46)

ChEBI IDCHEBI:60925
ChEBI Nameglucose 6-monomycolate (C46)
Stars
DefinitionA 6-O-acyl-D-glucose where the acyl group is 3-hydroxy-2-tetradecyldotriacontanoyl.
Last Modified10 January 2011
SubmitterSteve
DownloadsMolfile
FormulaC52H102O8
Net Charge0
Average Mass855.380
Monoisotopic Mass854.75747
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C52H102O8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-46(53)45(42-40-38-36-34-32-16-14-12-10-8-6-4-2)51(57)59-44-47-48(54)49(55)50(56)52(58)60-47/h45-50,52-56,58H,3-44H2,1-2H3/t45?,46?,47-,48-,49+,50-,52?/m1/s1
InChIKeyPZSVACHAYJGFOD-GKVQJMFESA-N
ChEBI Ontology
Outgoing Relation(s)
glucose 6-monomycolate (C46) (CHEBI:60925) has functional parent D-glucopyranose (CHEBI:4167)
glucose 6-monomycolate (C46) (CHEBI:60925) is a 6-O-acyl-D-glucose (CHEBI:59475)
IUPAC Name 
6-O-(3-hydroxy-2-tetradecyldotriacontanoyl)-D-glucopyranose
Synonyms  Source
GMM (C46)ChEBI
glucose 6-monomycolateChEBI
D-glucose 6-monomycolateChEBI
Citations