CHEBI:84758 - β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-hexadecanoylsphingosine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-hexadecanoylsphingosine
ChEBI ID CHEBI:84758
ChEBI ASCII Name beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-hexadecanoylsphingosine
Definition A β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1ʼ)-N-acylsphingosine 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 C46H87NO13
Net Charge 0
Average Mass 862.18190
Monoisotopic Mass 861.61774
InChI InChI=1S/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/b29-27+/t34-,35+,36+,37+,39-,40-,41+,42+,43+,44+,45+,46-/m0/s1
InChIKey HLIJNIKSBCIDGO-QKLMXXKVSA-N
SMILES CCCCCCCCCCCCCCCC(=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:txid10090) 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-hexadecanoylsphingosine (CHEBI:84758) has functional parent hexadecanoic acid (CHEBI:15756)
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-hexadecanoylsphingosine (CHEBI:84758) has role mouse metabolite (CHEBI:75771)
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-hexadecanoylsphingosine (CHEBI:84758) 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]hexadecanamide
Synonyms Sources
LacCer(d18:1/16:0) LIPID MAPS
N-(hexadecanoyl)-1-b-lactosyl-sphing-4-enine LIPID MAPS
Manual Xrefs Databases
HMDB0006750 HMDB
LMSP0501AB03 LIPID MAPS
View more database links
Last Modified
11 February 2015