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CHEBI:75976 - 1-(β-D-galactosyl)-N-behenoylsphingosine

ChEBI IDCHEBI:75976
ChEBI Name1-(β-D-galactosyl)-N-behenoylsphingosine
Stars
ASCII Name1-(beta-D-galactosyl)-N-behenoylsphingosine
DefinitionA D-galactosyl-N-acylsphingosine where the ceramide N-acyl group is docosananoyl and the D-galactosyl component has β anomeric configuration.
Secondary ChEBI IDCHEBI:84740
Last Modified23 November 2020
Submitterlaimo, namrata
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-YMBRMJIUSA-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).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-(β-D-galactosyl)-N-behenoylsphingosine (CHEBI:75976) has functional parent docosanoic acid (CHEBI:28941)
1-(β-D-galactosyl)-N-behenoylsphingosine (CHEBI:75976) has role mouse metabolite (CHEBI:75771)
1-(β-D-galactosyl)-N-behenoylsphingosine (CHEBI:75976) is a N-acyl-β-D-galactosylsphingosine (CHEBI:18390)
IUPAC Name 
N-[(2S,3R,4E)-1-(β-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]docosanamide
Synonyms  Source
1-(β-D-galactosyl)-N-docosanoylsphingosineChEBI
22:0-GalCSUBMITTER
docosanoylgalactosylceramideSUBMITTER
GalCer(d18:1/22:0)LIPID MAPS
Galβ-Cer(d18:1/22:0)LIPID MAPS
UniProt Name  Source
N-(docosanoyl)-1-O-β-D-galactosyl-sphing-4-enineUniProt
Manual XrefsDatabases
LMSP0501AC04LIPID MAPS
Registry NumbersSources
Reaxys:9379709Reaxys