beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-octadecanoylsphingosine (CHEBI:84759)

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

ChEBI ID	CHEBI:84759
ChEBI Name	β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-octadecanoylsphingosine
Stars
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↔1')-N-acylsphingosine in which the acyl group specified is octadecanoyl.
Last Modified	11 February 2015
Submitter	namrata
Downloads	Molfile

Formula	C48H91NO13
Net Charge	0
Average Mass	890.250
Monoisotopic Mass	889.64904
SMILES	CCCCCCCCCCCCC/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)CCCCCCCCCCCCCCCCC
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

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	-	MetaboLights (MTBLS143)

Roles Classification

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-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	Source
LacCer(d18:1/18:0)	LIPID MAPS
N-(octadecanoyl)-1-b-lactosyl-sphing-4-enine	LIPID MAPS

Manual Xrefs	Databases
LMSP0501AB04	LIPID MAPS
HMDB0011591	HMDB

Registry Numbers	Sources
Reaxys:9037437	Reaxys