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CHEBI:76912 - 1-O-(α-D-glucosyl)-N-hexacosanoylphytosphingosine

ChEBI IDCHEBI:76912
ChEBI Name1-O-(α-D-glucosyl)-N-hexacosanoylphytosphingosine
Stars
ASCII Name1-O-(alpha-D-glucosyl)-N-hexacosanoylphytosphingosine
DefinitionA glycophytoceramide having an α-D-glucosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen.
Last Modified8 January 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC50H99NO9
Net Charge0
Average Mass858.340
Monoisotopic Mass857.73198
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47+,48-,49+,50-/m0/s1
InChIKeyVQFKFAKEUMHBLV-SMEVVEOQSA-N
Roles Classification
Biological Roles:
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)
1-O-(α-D-glucosyl)-N-hexacosanoylphytosphingosine (CHEBI:76912) has role antigen (CHEBI:59132)
1-O-(α-D-glucosyl)-N-hexacosanoylphytosphingosine (CHEBI:76912) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
Synonyms  Source
1-O-(α-D-glucopyranosyl)-N-hexacosanoylphytosphingosineChEBI
α-GlcCer(t18:0/26:0)ChEBI
Glcα-Cer(t18:0/26:0)ChEBI
(2S,3S,4R)-1-O-(α-D-glucosyl)-N-hexacosanoyl-2-amino-1,3,4-octadecanetriolChEBI
α-GlcCerChEBI
Citations