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CHEBI:59474 - glucose 6-monomycolate

ChEBI IDCHEBI:59474
ChEBI Nameglucose 6-monomycolate
Stars
DefinitionA 6-O-acyl-D-glucose that is the 6-O-[(20E)-2-docosyl-3-hydroxy-39-(nonadecan-2-yloxy)-39-oxononatriacont-20-enoyl] derivative of D-glucopyranose.
Last Modified26 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC86H166O10
Net Charge0
Average Mass1360.264
Monoisotopic Mass1359.24810
SMILESCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O)C(O)CCCCCCCCCCCCCCCC/C=C/CCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C86H166O10/c1-4-6-8-10-12-14-16-18-20-21-22-38-41-45-49-53-57-61-65-69-73-78(85(92)94-76-80-82(89)83(90)84(91)86(93)96-80)79(87)74-70-66-62-58-54-50-46-42-39-36-34-32-30-28-26-24-23-25-27-29-31-33-35-37-40-43-47-51-55-59-63-67-71-75-81(88)95-77(3)72-68-64-60-56-52-48-44-19-17-15-13-11-9-7-5-2/h23-24,77-80,82-84,86-87,89-91,93H,4-22,25-76H2,1-3H3/b24-23+/t77?,78?,79?,80-,82-,83+,84-,86?/m1/s1
InChIKeyLITMFGVPUPMOEV-SHMQUVLJSA-N
ChEBI Ontology
Outgoing Relation(s)
glucose 6-monomycolate (CHEBI:59474) has functional parent D-glucopyranose (CHEBI:4167)
glucose 6-monomycolate (CHEBI:59474) is a 6-O-acyl-D-glucose (CHEBI:59475)
IUPAC Name 
6-O-[(20E)-2-docosyl-3-hydroxy-39-(nonadecan-2-yloxy)-39-oxononatriacont-20-enoyl]-D-glucopyranose
Synonym  Source
GMMChEBI
Citations