N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide (d18:1/16:0) (CHEBI:132968)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:132968 - N-acetyl-β-D-galactosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosylceramide (d18:1/16:0)

ChEBI ID	CHEBI:132968
ChEBI Name	N-acetyl-β-D-galactosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosylceramide (d18:1/16:0)
Stars
ASCII Name	N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide (d18:1/16:0)
Definition	An N-acetyl-β-D-galactosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosylceramide in which the ceramide N-acyl group is specified as hexadecanoyl.
Last Modified	9 February 2017
Submitter	Keeva
Downloads	Molfile

Formula	C60H110N2O23
Net Charge	0
Average Mass	1227.531
Monoisotopic Mass	1226.74994
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]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC
InChI	InChI=1S/C60H110N2O23/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(68)38(62-44(69)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-78-58-51(75)49(73)54(42(34-65)81-58)83-59-52(76)50(74)55(43(35-66)82-59)84-60-53(77)56(47(71)41(33-64)80-60)85-57-45(61-37(3)67)48(72)46(70)40(32-63)79-57/h28,30,38-43,45-60,63-66,68,70-77H,4-27,29,31-36H2,1-3H3,(H,61,67)(H,62,69)/b30-28+/t38-,39+,40+,41+,42+,43+,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55-,56-,57-,58+,59-,60+/m0/s1
InChIKey	BLRBAJXLYBVISP-XPTZFRITSA-N

Species of Metabolite	Component	Source
Homo Sapiens (ncbitaxon:9606)
	-	DOI (10.1016/j.diagmicrobio.2016.03.012)
	-	MetaboLights (MTBLS354)

Roles Classification

Biological Roles:

antigen Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).

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).

ChEBI Ontology

Outgoing Relation(s)
	N-acetyl-β-D-galactosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosylceramide (d18:1/16:0) (CHEBI:132968) is a N-acetyl-β-D-galactosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosylceramide (CHEBI:18259)

IUPAC Name
N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→3)-α-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexadecanamide

Synonyms	Source
GalNAc-1→3-Gal-1→4-Gal-1→4-Glc-Cer (d18:1/16:0)	ChEBI
Tetrahexosylceramide (d18:1/16:0)	HMDB
β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-Glcp-(1↔1')-Cer (d18:1/16:0)	ChEBI
N-acetyl-β-D-galactosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-hexadecanoylsphing-4-enine	ChEBI
β-D-GalNAc-(1→3)-α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (d18:1/16:0)	ChEBI
GalNAcβ1-3-Galα1-4Galβ1-4Glcβ1-1Cer (d18:1/16:0)	ChEBI

Manual Xrefs	Databases
HMDB0004960	HMDB

Registry Numbers	Sources
Reaxys:29720959	Reaxys
CAS:11034-93-8	HMDB