EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:84705 - β-D-glucosyl-(1↔1')-N-docosanoylsphinganine

ChEBI IDCHEBI:84705
ChEBI Nameβ-D-glucosyl-(1↔1')-N-docosanoylsphinganine
Stars
ASCII Namebeta-D-glucosyl-(1<->1')-N-docosanoylsphinganine
DefinitionA β-D-glucosyl-(1↔1')-N-acylsphinganine in which the acyl group specified is docosanoyl.
Last Modified5 February 2015
Submitternamrata
DownloadsMolfile
FormulaC46H91NO8
Net Charge0
Average Mass786.233
Monoisotopic Mass785.67447
SMILESCCCCCCCCCCCCCCCCCCCCCC(=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/C46H91NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h39-41,43-46,48-49,51-53H,3-38H2,1-2H3,(H,47,50)/t39-,40+,41+,43+,44-,45+,46+/m0/s1
InChIKeyBCRCIDJHDMYLDJ-WGYZNKDKSA-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-glucosyl-(1↔1')-N-docosanoylsphinganine (CHEBI:84705) has functional parent docosanoic acid (CHEBI:28941)
β-D-glucosyl-(1↔1')-N-docosanoylsphinganine (CHEBI:84705) has role mouse metabolite (CHEBI:75771)
β-D-glucosyl-(1↔1')-N-docosanoylsphinganine (CHEBI:84705) is a β-D-glucosyl-(1↔1')-N-acylsphinganine (CHEBI:82919)
IUPAC Name 
N-[(2S,3R)-1-(β-D-glucopyranosyloxy)-3-hydroxyoctadecan-2-yl]docosanamide
Synonyms  Source
C22DH GlcCerLIPID MAPS
N-(docosanoyl)-1-β-glucosyl-sphinganineLIPID MAPS
GlcCer(d18:0/22:0)LIPID MAPS
Manual XrefsDatabases
LMSP0501AA21LIPID MAPS