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CHEBI:84763 - β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-tricosanoylsphingosine

ChEBI IDCHEBI:84763
ChEBI Nameβ-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-tricosanoylsphingosine
Stars
ASCII Namebeta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-tricosanoylsphingosine
DefinitionA β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-acylsphingosine in which the acyl group specified is tricosanoyl.
Last Modified11 February 2015
Submitternamrata
DownloadsMolfile
FormulaC53H101NO13
Net Charge0
Average Mass960.385
Monoisotopic Mass959.72729
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)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C53H101NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-45(58)54-41(42(57)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)40-64-52-50(63)48(61)51(44(39-56)66-52)67-53-49(62)47(60)46(59)43(38-55)65-53/h34,36,41-44,46-53,55-57,59-63H,3-33,35,37-40H2,1-2H3,(H,54,58)/b36-34+/t41-,42+,43+,44+,46-,47-,48+,49+,50+,51+,52+,53-/m0/s1
InChIKeyJMIBHWXICSSLDW-YNNRPXNKSA-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-tricosanoylsphingosine (CHEBI:84763) has functional parent tricosanoic acid (CHEBI:42394)
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-tricosanoylsphingosine (CHEBI:84763) has role mouse metabolite (CHEBI:75771)
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-tricosanoylsphingosine (CHEBI:84763) is a β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-acylsphingosine (CHEBI:17950)
Synonym  Source
LacCer(d18:1/23:0)ChEBI