CHEBI:84704 - β-D-galactosyl-(1↔1ʼ)-N-eicosanoylsphinganine

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ChEBI Name β-D-galactosyl-(1↔1ʼ)-N-eicosanoylsphinganine
ChEBI ID CHEBI:84704
ChEBI ASCII Name beta-D-galactosyl-(1<->1')-N-eicosanoylsphinganine
Definition A β-D-galactosyl-(1↔1ʼ)-N-acylsphinganine in which the acyl group specified is eicosanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C44H87NO8
Net Charge 0
Average Mass 758.16350
Monoisotopic Mass 757.64317
InChI InChI=1S/C44H87NO8/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h37-39,41-44,46-47,49-51H,3-36H2,1-2H3,(H,45,48)/t37-,38+,39+,41-,42-,43+,44+/m0/s1
InChIKey JMHGBISEAGEKAI-NJIWHLQVSA-N
SMILES CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC
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-eicosanoylsphinganine (CHEBI:84704) has functional parent icosanoic acid (CHEBI:28822)
β-D-galactosyl-(1↔1ʼ)-N-eicosanoylsphinganine (CHEBI:84704) has role mouse metabolite (CHEBI:75771)
β-D-galactosyl-(1↔1ʼ)-N-eicosanoylsphinganine (CHEBI:84704) is a β-D-galactosyl-(1↔1ʼ)-N-acylsphinganine (CHEBI:82920)
IUPAC Name
N-[(2S,3R)-1-(β-D-galactopyranosyloxy)-3-hydroxyoctadecan-2-yl]icosanamide
Synonyms Sources
GalCer(d18:0/20:0) LIPID MAPS
N-(eicosanoyl)-1-β-galactosyl-sphinganine LIPID MAPS
Manual Xref Database
LMSP0501AC12 LIPID MAPS
View more database links
Last Modified
05 February 2015