beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-oleoylsphingosine (CHEBI:131557)

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CHEBI:131557 - β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-oleoylsphingosine

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ChEBI ID	CHEBI:131557
ChEBI Name	β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-oleoylsphingosine
Stars
ASCII Name	beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-oleoylsphingosine
Definition	A β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-acylsphingosine in which the ceramide N-acyl group is specified as (9Z)-octadecenoyl.
Last Modified	19 May 2016
Submitter	nhn
Downloads	Molfile

Formula	C48H89NO13
Net Charge	0
Average Mass	888.234
Monoisotopic Mass	887.63339
SMILES	CCCCCCCC/C=C\CCCCCCCC(=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
InChI	InChI=1S/C48H89NO13/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/h17-18,29,31,36-39,41-48,50-52,54-58H,3-16,19-28,30,32-35H2,1-2H3,(H,49,53)/b18-17-,31-29+/t36-,37+,38+,39+,41-,42-,43+,44+,45+,46+,47+,48-/m0/s1
InChIKey	YVBUQOZKCCPFCZ-HSVHIEHGSA-N

Roles Classification

Biological Roles:

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-oleoylsphingosine (CHEBI:131557) is a β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-acylsphingosine (CHEBI:17950)

IUPAC Name
(9Z)-N-{(2S,3R,4E)-1-[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}octadec-9-enamide

Synonyms	Source
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-oleoylsphing-4-enine	SUBMITTER
LacCer(d18:1/18:1(9Z))	LIPID MAPS
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-[(9Z)-octadecenoyl]-sphingosine	ChEBI
N-(9Z-octadecenoyl)-1-β-lactosyl-sphingosine	ChEBI
N-(9Z-octadecenoyl)-1-β-lactosyl-sphing-4-enine	LIPID MAPS

UniProt Name	Source
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-[(9Z)-octadecenoyl]-sphing-4-enine	UniProt

Manual Xrefs	Databases
LMSP0501AB11	LIPID MAPS

Registry Numbers	Sources
Reaxys:5704885	Reaxys

Citations