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CHEBI:62107 - β-D-glucosyl-N-(docosanoyl)sphingosine

ChEBI IDCHEBI:62107
ChEBI Nameβ-D-glucosyl-N-(docosanoyl)sphingosine
Stars
ASCII Namebeta-D-glucosyl-N-(docosanoyl)sphingosine
DefinitionA β-D-glucosylceramide where the ceramide N-acyl group is specified as docosanoyl.
Secondary ChEBI IDCHEBI:84738
Last Modified11 February 2015
Submitternamrata, Steve
DownloadsMolfile
FormulaC46H89NO8
Net Charge0
Average Mass784.217
Monoisotopic Mass783.65882
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H89NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,39-41,43-46,48-49,51-53H,3-32,34,36-38H2,1-2H3,(H,47,50)/b35-33+/t39-,40+,41+,43+,44-,45+,46+/m0/s1
InChIKeyYIGARKIIFOHVPF-CNUVFPMCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
β-D-glucosyl-N-(docosanoyl)sphingosine (CHEBI:62107) has functional parent docosanoic acid (CHEBI:28941)
β-D-glucosyl-N-(docosanoyl)sphingosine (CHEBI:62107) has role mouse metabolite (CHEBI:75771)
β-D-glucosyl-N-(docosanoyl)sphingosine (CHEBI:62107) is a β-D-glucosyl-N-acylsphingosine (CHEBI:22801)
IUPAC Name 
N-[(2S,3R,4E)-1-(β-D-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]docosanamide
Synonyms  Source
C22 GlcCerLIPID MAPS
CMHChEBI
N-(docosanoyl)-1-β-glucosyl-sphing-4-enineLIPID MAPS
GlcCer(d18:1/22:0)LIPID MAPS
Glucosylceramide (d18:1/22:0)ChEBI
β-GlcCerChEBI
UniProt Name  Source
β-D-glucosyl-N-docosanoylsphingosineUniProt
Manual XrefsDatabases
LMSP0501AA07LIPID MAPS
Registry NumbersSources
Reaxys:73642Reaxys
Citations