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CHEBI:84999 - α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/23:0)

ChEBI IDCHEBI:84999
ChEBI Nameα-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/23:0)
Stars
ASCII Namealpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/23:0)
DefinitionA glycotriaosylceramide having α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl as the glycotriaosyl component attached to the Cer(d18:1/23:0).
Last Modified1 July 2015
Submitternamrata
DownloadsMolfile
FormulaC59H111NO18
Net Charge0
Average Mass1122.526
Monoisotopic Mass1121.78012
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C59H111NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-47(65)60-42(43(64)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)41-73-57-53(71)50(68)55(45(39-62)75-57)78-59-54(72)51(69)56(46(40-63)76-59)77-58-52(70)49(67)48(66)44(38-61)74-58/h34,36,42-46,48-59,61-64,66-72H,3-33,35,37-41H2,1-2H3,(H,60,65)/b36-34+/t42-,43+,44+,45+,46+,48-,49-,50+,51+,52+,53+,54+,55+,56-,57+,58+,59-/m0/s1
InChIKeyKNXYBODBPUDJGN-SXTNRVBASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/23:0) (CHEBI:84999) has functional parent tricosanoic acid (CHEBI:42394)
α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/23:0) (CHEBI:84999) has role mouse metabolite (CHEBI:75771)
α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/23:0) (CHEBI:84999) is a glycotriaosylceramide (CHEBI:36508)
IUPAC Name 
N-[(2S,3R,4E)-1-{[α-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]tricosanamide
Synonym  Source
Gb3(d18:1/23:0)ChEBI