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CHEBI:84692 - α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/20:0)

ChEBI IDCHEBI:84692
ChEBI Nameα-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/20:0)
Stars
ASCII Namealpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/20:0)
DefinitionA glycotriaosylceramide having α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl as the glycotriaosyl component attached to the Cer(d18:1/20:0).
Last Modified1 July 2015
Submitternamrata
DownloadsMolfile
FormulaC56H105NO18
Net Charge0
Average Mass1080.445
Monoisotopic Mass1079.73317
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)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C56H105NO18/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-44(62)57-39(40(61)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)38-70-54-50(68)47(65)52(42(36-59)72-54)75-56-51(69)48(66)53(43(37-60)73-56)74-55-49(67)46(64)45(63)41(35-58)71-55/h31,33,39-43,45-56,58-61,63-69H,3-30,32,34-38H2,1-2H3,(H,57,62)/b33-31+/t39-,40+,41+,42+,43+,45-,46-,47+,48+,49+,50+,51+,52+,53-,54+,55+,56-/m0/s1
InChIKeyLQRNTTGLRTZWKM-YYRNMFCDSA-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(d18:1/20:0) (CHEBI:84692) has functional parent icosanoic acid (CHEBI:28822)
α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/20:0) (CHEBI:84692) has role mouse metabolite (CHEBI:75771)
α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/20:0) (CHEBI:84692) 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]icosanamide
Synonym  Source
Gb3(d18:1/20:0)ChEBI
Manual XrefsDatabases
LMSP0502AA03LIPID MAPS