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

Default Structure
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.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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).
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
Galα1-4Galβ1-4Glcβ-Cer(d18:1/26:1(17Z))LIPID MAPS
Gb3(18:1/26:1)ChEBI
α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosylceramide (d18:1/26:1(17Z))ChEBI
Manual XrefsDatabases
LMSP0502AA08LIPID MAPS