CHEBI:84759 - β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-octadecanoylsphingosine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-octadecanoylsphingosine
ChEBI ID CHEBI:84759
ChEBI ASCII Name beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-octadecanoylsphingosine
Definition A β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1ʼ)-N-acylsphingosine in which the acyl group specified is octadecanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C48H91NO13
Net Charge 0
Average Mass 890.23500
Monoisotopic Mass 889.64904
InChI InChI=1S/C48H91NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h29,31,36-39,41-48,50-52,54-58H,3-28,30,32-35H2,1-2H3,(H,49,53)/b31-29+/t36-,37+,38+,39+,41-,42-,43+,44+,45+,46+,47+,48-/m0/s1
InChIKey VOZHMDQUIRUFQW-LOTHNZFDSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)N[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)[C@H](O)\C=C\CCCCCCCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txidtxid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-octadecanoylsphingosine (CHEBI:84759) has functional parent octadecanoic acid (CHEBI:28842)
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-octadecanoylsphingosine (CHEBI:84759) has role mouse metabolite (CHEBI:75771)
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-octadecanoylsphingosine (CHEBI:84759) 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]octadecanamide
Synonyms Sources
LacCer(d18:1/18:0) LIPID MAPS
N-(octadecanoyl)-1-b-lactosyl-sphing-4-enine LIPID MAPS
Manual Xrefs Databases
HMDB0011591 HMDB
LMSP0501AB04 LIPID MAPS
View more database links
Registry Number Type Source
9037437 Reaxys Registry Number Reaxys
Last Modified
11 February 2015