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CHEBI:84712 - β-D-galactosyl-(1↔1')-N-hexacosanoylsphinganine

ChEBI IDCHEBI:84712
ChEBI Nameβ-D-galactosyl-(1↔1')-N-hexacosanoylsphinganine
Stars
ASCII Namebeta-D-galactosyl-(1<->1')-N-hexacosanoylsphinganine
DefinitionA β-D-galactosyl-(1↔1')-N-acylsphinganine in which the acyl group specified is hexacosanoyl.
Last Modified5 February 2015
Submitternamrata
DownloadsMolfile
FormulaC50H99NO8
Net Charge0
Average Mass842.341
Monoisotopic Mass841.73707
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C50H99NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(42-58-50-49(57)48(56)47(55)45(41-52)59-50)44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h43-45,47-50,52-53,55-57H,3-42H2,1-2H3,(H,51,54)/t43-,44+,45+,47-,48-,49+,50+/m0/s1
InChIKeyGTRFIKUZMLUSGB-JMPGNXEHSA-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-hexacosanoylsphinganine (CHEBI:84712) has functional parent hexacosanoic acid (CHEBI:31009)
β-D-galactosyl-(1↔1')-N-hexacosanoylsphinganine (CHEBI:84712) has role mouse metabolite (CHEBI:75771)
β-D-galactosyl-(1↔1')-N-hexacosanoylsphinganine (CHEBI:84712) is a β-D-galactosyl-(1↔1')-N-acylsphinganine (CHEBI:82920)
IUPAC Name 
N-[(2S,3R)-1-(β-D-galactopyranosyloxy)-3-hydroxyoctadecan-2-yl]hexacosanamide
Synonyms  Source
N-(hexacosanoyl)-1-β-galactosyl-sphinganineLIPID MAPS
GalCer(d18:0/26:0)LIPID MAPS
Manual XrefsDatabases
LMSP0501AC15LIPID MAPS