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CHEBI:134395 - glucose 6-monomycolate (C80) (Mycobacterium phlei)

ChEBI IDCHEBI:134395
ChEBI Nameglucose 6-monomycolate (C80) (Mycobacterium phlei)
Stars
ASCII Nameglucose 6-monomycolate (C80) (Mycobacterium phlei)
DefinitionA mycolate ester formed by esterification of (21E)-3-hydroxy-35-[(icosan-2-yl)oxy]-35-oxo-2-pentacosylpentatriacont-21-enoic acid with the 6-OH of D-glucose; produced by Mycobacterium phlei.
Last Modified7 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC86H166O10
Net Charge0
Average Mass1360.264
Monoisotopic Mass1359.24810
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O)C(O)CCCCCCCCCCCCCCCCC/C=C/CCCCCCCCCCCCC(=O)OC(C)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C86H166O10/c1-4-6-8-10-12-14-16-18-20-22-23-24-32-35-38-41-45-49-53-57-61-65-69-73-78(85(92)94-76-80-82(89)83(90)84(91)86(93)96-80)79(87)74-70-66-62-58-54-50-46-42-39-36-33-30-28-26-25-27-29-31-34-37-40-43-47-51-55-59-63-67-71-75-81(88)95-77(3)72-68-64-60-56-52-48-44-21-19-17-15-13-11-9-7-5-2/h29,31,77-80,82-84,86-87,89-91,93H,4-28,30,32-76H2,1-3H3/b31-29+/t77?,78?,79?,80-,82-,83+,84-,86?/m1/s1
InChIKeyIXQWYVQXVAEMLO-AOMCZVNUSA-N
Species of MetaboliteComponentSourceComments
Mycobacterium phlei (ncbitaxon:1771) - PubMed (27807341)
ChEBI Ontology
Outgoing Relation(s)
glucose 6-monomycolate (C80) (Mycobacterium phlei) (CHEBI:134395) is a monosaccharide derivative (CHEBI:63367)
glucose 6-monomycolate (C80) (Mycobacterium phlei) (CHEBI:134395) is a mycolate ester (CHEBI:74253)
IUPAC Name 
6-O-{(21E)-3-hydroxy-35-[(icosan-2-yl)oxy]-35-oxo-2-pentacosylpentatriacont-21-enoyl}-D-glucopyranose
Synonyms  Source
glucose MM (C80)ChEBI
6-O-{(21E)-3-hydroxy-35-(icosan-2-yloxy)-35-oxo-2-pentacosylpentatriacont-21-enoyl}-D-glucoseChEBI
6-O-{(21E)-3-hydroxy-35-[(1-methylnonadecyl)oxy]-1,35-dioxo-2-pentacosyl-21-pentatriaconten-1-yl}-D-glucopyranoseChEBI
Citations