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

ChEBI IDCHEBI:84704
ChEBI Nameβ-D-galactosyl-(1↔1')-N-eicosanoylsphinganine
Stars
ASCII Namebeta-D-galactosyl-(1<->1')-N-eicosanoylsphinganine
DefinitionA β-D-galactosyl-(1↔1')-N-acylsphinganine in which the acyl group specified is eicosanoyl.
Last Modified5 February 2015
Submitternamrata
DownloadsMolfile
FormulaC44H87NO8
Net Charge0
Average Mass758.179
Monoisotopic Mass757.64317
SMILESCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=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
InChIKeyJMHGBISEAGEKAI-NJIWHLQVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
β-D-galactosyl-(1↔1')-N-eicosanoylsphinganine (CHEBI:84704) has functional parent icosanoic acid (CHEBI:28822)
β-D-galactosyl-(1↔1')-N-eicosanoylsphinganine (CHEBI:84704) has role mouse metabolite (CHEBI:75771)
β-D-galactosyl-(1↔1')-N-eicosanoylsphinganine (CHEBI:84704) is a β-D-galactosyl-(1↔1')-N-acylsphinganine (CHEBI:82920)
IUPAC Name 
N-[(2S,3R)-1-(β-D-galactopyranosyloxy)-3-hydroxyoctadecan-2-yl]icosanamide
Synonyms  Source
GalCer(d18:0/20:0)LIPID MAPS
N-(eicosanoyl)-1-β-galactosyl-sphinganineLIPID MAPS
Manual XrefsDatabases
LMSP0501AC12LIPID MAPS