CHEBI:84782 - β-D-glucosyl-(1↔1ʼ)-N-hexadecanoylsphinganine

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ChEBI Name β-D-glucosyl-(1↔1ʼ)-N-hexadecanoylsphinganine
ChEBI ID CHEBI:84782
ChEBI ASCII Name beta-D-glucosyl-(1<->1')-N-hexadecanoylsphinganine
Definition A β-D-glucosyl-(1↔1ʼ)-N-acylsphinganine in which the acyl group specified is hexadecanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H79NO8
Net Charge 0
Average Mass 702.05720
Monoisotopic Mass 701.58057
InChI InChI=1S/C40H79NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,37-40,42-43,45-47H,3-32H2,1-2H3,(H,41,44)/t33-,34+,35+,37+,38-,39+,40+/m0/s1
InChIKey BLGKYYVFGMKTEZ-UKDORTLVSA-N
SMILES CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-D-glucosyl-(1↔1ʼ)-N-hexadecanoylsphinganine (CHEBI:84782) has functional parent hexadecanoic acid (CHEBI:15756)
β-D-glucosyl-(1↔1ʼ)-N-hexadecanoylsphinganine (CHEBI:84782) has role mouse metabolite (CHEBI:75771)
β-D-glucosyl-(1↔1ʼ)-N-hexadecanoylsphinganine (CHEBI:84782) is a β-D-glucosyl-(1↔1ʼ)-N-acylsphinganine (CHEBI:82919)
IUPAC Name
N-[(2S,3R)-1-(β-D-glucopyranosyloxy)-3-hydroxyoctadecan-2-yl]hexadecanamide
Synonyms Sources
β-D-glucosyl-(1↔1ʼ)-N-palmitoylsphinganine ChEBI
C16DH GlcCer LIPID MAPS
GlcCer(d18:0/16:0) LIPID MAPS
N-(hexadecanoyl)-1-β-glucosyl-sphinganine LIPID MAPS
Manual Xref Database
LMSP0501AA04 LIPID MAPS
View more database links
Last Modified
13 February 2015