CHEBI:84696 - α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/24:1(15Z))

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ChEBI Name α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/24:1(15Z))
ChEBI ID CHEBI:84696
ChEBI ASCII Name alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/24:1(15Z))
Definition A glycotriaosylceramide having α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl as the glycotriaosyl component attached to the Cer(d18:1/24:1(15Z)).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C60H111NO18
Net Charge 0
Average Mass 1134.51920
Monoisotopic Mass 1133.78012
InChI InChI=1S/C60H111NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-48(66)61-43(44(65)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)42-74-58-54(72)51(69)56(46(40-63)76-58)79-60-55(73)52(70)57(47(41-64)77-60)78-59-53(71)50(68)49(67)45(39-62)75-59/h17-18,35,37,43-47,49-60,62-65,67-73H,3-16,19-34,36,38-42H2,1-2H3,(H,61,66)/b18-17-,37-35+/t43-,44+,45+,46+,47+,49-,50-,51+,52+,53+,54+,55+,56+,57-,58+,59+,60-/m0/s1
InChIKey FZLJBZZCTNZGFA-ONMSRFGWSA-N
SMILES CCCCCCCCCCCCC\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)CCCCCCCCCCCCC\C=C/CCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/24:1(15Z)) (CHEBI:84696) has role mouse metabolite (CHEBI:75771)
α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/24:1(15Z)) (CHEBI:84696) is a glycotriaosylceramide (CHEBI:36508)
IUPAC Name
(15Z)-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]tetracos-15-enamide
Synonym Source
Gb3(d18:1/24:1) ChEBI
Manual Xref Database
LMSP0502AA07 LIPID MAPS
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Last Modified
01 July 2015