CHEBI:90498 - β-D-galactosyl-(1↔1ʼ)-N-octadecanoylsphinganine

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ChEBI Name β-D-galactosyl-(1↔1ʼ)-N-octadecanoylsphinganine
ChEBI ID CHEBI:90498
ChEBI ASCII Name beta-D-galactosyl-(1<->1')-N-octadecanoylsphinganine
Definition A β-D-galactosyl-(1↔1ʼ)-N-acylsphinganine in which the acyl group is specified as octadecanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H83NO8
Net Charge 0
Average Mass 730.112
Monoisotopic Mass 729.61187
InChI InChI=1S/C42H83NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35-37,39-42,44-45,47-49H,3-34H2,1-2H3,(H,43,46)/t35-,36+,37+,39-,40-,41+,42+/m0/s1
InChIKey DSRCOSQOBBICFU-CACBSBPQSA-N
SMILES O[C@H]1[C@H](O[C@@H](OC[C@@H]([C@@H](CCCCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]1O)O)CO
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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-D-galactosyl-(1↔1ʼ)-N-octadecanoylsphinganine (CHEBI:90498) has functional parent octadecanoic acid (CHEBI:28842)
β-D-galactosyl-(1↔1ʼ)-N-octadecanoylsphinganine (CHEBI:90498) has role mouse metabolite (CHEBI:75771)
β-D-galactosyl-(1↔1ʼ)-N-octadecanoylsphinganine (CHEBI:90498) is a β-D-galactosyl-(1↔1ʼ)-N-acylsphinganine (CHEBI:82920)
IUPAC Name
N-[(2S,3R)-1-(β-D-galactopyranosyloxy)-3-hydroxyoctadecan-2-yl]octadecanamide
Synonyms Sources
β-D-galactosyl-(1↔1ʼ)-N-stearoylsphinganine ChEBI
GalCer(d18:0/18:0) ChEBI
N-(octadecanoyl)-1-β-galactosyl-sphinganine ChEBI
N-stearoyl-1-β-galactosylsphinganine ChEBI
Registry Number Type Source
4342727 Reaxys Registry Number Reaxys
Last Modified
04 July 2016