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CHEBI:84749 - β-D-galactosyl-N-(hexacosanoyl)sphingosine

ChEBI IDCHEBI:84749
ChEBI Nameβ-D-galactosyl-N-(hexacosanoyl)sphingosine
Stars
ASCII Namebeta-D-galactosyl-N-(hexacosanoyl)sphingosine
DefinitionA N-acyl-β-D-galactosylsphingosine in which the acyl group specified is hexacosanoyl.
Last Modified11 February 2015
Submitternamrata
DownloadsMolfile
FormulaC50H97NO8
Net Charge0
Average Mass840.325
Monoisotopic Mass839.72142
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H97NO8/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/h37,39,43-45,47-50,52-53,55-57H,3-36,38,40-42H2,1-2H3,(H,51,54)/b39-37+/t43-,44+,45+,47-,48-,49+,50+/m0/s1
InChIKeyDOIOUJPHIXRQFM-JHCBZXGBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
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).
ChEBI Ontology
Outgoing Relation(s)
β-D-galactosyl-N-(hexacosanoyl)sphingosine (CHEBI:84749) has functional parent hexacosanoic acid (CHEBI:31009)
β-D-galactosyl-N-(hexacosanoyl)sphingosine (CHEBI:84749) has role mouse metabolite (CHEBI:75771)
β-D-galactosyl-N-(hexacosanoyl)sphingosine (CHEBI:84749) 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]hexacosanamide
Synonyms  Source
GalCer(d18:1/26:0)LIPID MAPS
Galβ-Cer(d18:1/26:0)LIPID MAPS
Manual XrefsDatabases
LMSP0501AC06LIPID MAPS