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CHEBI:84762 - β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-docosanoylsphingosine

ChEBI IDCHEBI:84762
ChEBI Nameβ-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-docosanoylsphingosine
Stars
ASCII Namebeta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-docosanoylsphingosine
DefinitionA β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-acylsphingosine in which the acyl group specified is docosanoyl.
Last Modified11 February 2015
Submitternamrata
DownloadsMolfile
FormulaC52H99NO13
Net Charge0
Average Mass946.358
Monoisotopic Mass945.71164
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C52H99NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(57)53-40(41(56)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-63-51-49(62)47(60)50(43(38-55)65-51)66-52-48(61)46(59)45(58)42(37-54)64-52/h33,35,40-43,45-52,54-56,58-62H,3-32,34,36-39H2,1-2H3,(H,53,57)/b35-33+/t40-,41+,42+,43+,45-,46-,47+,48+,49+,50+,51+,52-/m0/s1
InChIKeyQYWVASPEUXEHSY-NNRNTGNWSA-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).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-docosanoylsphingosine (CHEBI:84762) has functional parent docosanoic acid (CHEBI:28941)
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-docosanoylsphingosine (CHEBI:84762) has role mouse metabolite (CHEBI:75771)
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-docosanoylsphingosine (CHEBI:84762) is a β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-acylsphingosine (CHEBI:17950)
IUPAC Name 
N-[(2S,3R,4E)-1-{[4-O-(β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide
Synonyms  Source
N-(docosanoyl)-1-b-lactosyl-sphing-4-enineLIPID MAPS
LacCer(d18:1/22:0)LIPID MAPS
Manual XrefsDatabases
LMSP0501AB06LIPID MAPS
HMDB0011594HMDB