CHEBI:134469 - glucose 6-monomycolate (C36)

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ChEBI Name glucose 6-monomycolate (C36)
ChEBI ID CHEBI:134469
Definition A mycolate ester formed by esterification of (2R,3R)-3-hydroxy-2-tetradecyldocosanoic acid with the 6-OH of β-D-glucose.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H82O8
Net Charge 0
Average Mass 715.097
Monoisotopic Mass 714.60097
InChI InChI=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
InChIKey YOCZDGRJDQLKHW-NDHQNRPVSA-N
SMILES C(CCCCCCCCC[C@@H](O)[C@H](C(OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)=O)CCCCCCCCCCCCCC)CCCCCCCCC
ChEBI Ontology
Outgoing 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 Sources
6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose
Note: (2017-02-08) Misnomer. The alpha-L-idopyranose configuration is at variance with the data submitted to the PDB (entries 512j and 512k).
 PDBeChem
6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-β-D-glucose ChEBI
C36 GLUCOSE MONOMYCOLATE PDBeChem
C36 GMM PDBeChem
glucose MM (C36) ChEBI
Manual Xref Database
70E PDBeChem
View more database links
Last Modified
08 February 2017