EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133816 - α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/26:1(17Z))

ChEBI IDCHEBI:133816
ChEBI Nameα-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/26:1(17Z))
Stars
ASCII Namealpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/26:1(17Z))
DefinitionAn α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosylceramide in which the ceramide N-acyl group is specified as (17Z)-hexacosenoyl.
Last Modified29 March 2017
SubmitterKeeva
DownloadsMolfile
FormulaC62H115NO18
Net Charge0
Average Mass1162.591
Monoisotopic Mass1161.81142
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)N[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)[C@H](O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C62H115NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)53(71)58(48(42-65)78-60)81-62-57(75)54(72)59(49(43-66)79-62)80-61-55(73)52(70)51(69)47(41-64)77-61/h17-18,37,39,45-49,51-62,64-67,69-75H,3-16,19-36,38,40-44H2,1-2H3,(H,63,68)/b18-17-,39-37+/t45-,46+,47+,48+,49+,51-,52-,53+,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1
InChIKeyQAQFDJREECYASI-LZJIFRQNSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS358)
Roles Classification
Biological Roles:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
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(d18:1/26:1(17Z)) (CHEBI:133816) has role human blood serum metabolite (CHEBI:85234)
α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/26:1(17Z)) (CHEBI:133816) is a α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosylceramide (CHEBI:18313)
IUPAC Name 
(17Z)-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]hexacos-17-enamide
Synonyms  Source
Gb3(18:1/26:1)ChEBI
Galα1-4Galβ1-4Glcβ-Cer(d18:1/26:1(17Z))LIPID MAPS
α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosylceramide (d18:1/26:1(17Z))ChEBI
Manual XrefsDatabases
LMSP0502AA08LIPID MAPS