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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(β-D-galactosyl)-N-behenoylsphingosine
ChEBI ID CHEBI:75976
ChEBI ASCII Name 1-(beta-D-galactosyl)-N-behenoylsphingosine
Definition A D-galactosyl-N-acylsphingosine where the ceramide N-acyl group is docosananoyl and the D-galactosyl component has β anomeric configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Secondary ChEBI IDs CHEBI:84740
Supplier Information
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Formula C46H89NO8
Net Charge 0
Average Mass 784.20080
Monoisotopic Mass 783.65882
InChI InChI=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
InChIKey YIGARKIIFOHVPF-YMBRMJIUSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): 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).
(via N-acyl-beta-D-galactosylsphingosine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1-(β-D-galactosyl)-N-docosanoylsphingosine ChEBI
22:0-GalC SUBMITTER
docosanoylgalactosylceramide SUBMITTER
Galβ-Cer(d18:1/22:0) LIPID MAPS
GalCer(d18:1/22:0) LIPID MAPS
N-(docosanoyl)-1-O-β-D-galactosyl-sphing-4-enine UniProt
Manual Xref Database
LMSP0501AC04 LIPID MAPS
View more database links
Registry Number Type Source
9379709 Reaxys Registry Number Reaxys
Last Modified
23 November 2020