N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosylceramide (CHEBI:27499)

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CHEBI:27499 - N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosylceramide

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ChEBI ID	CHEBI:27499
ChEBI Name	N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosylceramide
Stars
ASCII Name	N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosylceramide
Definition	A sialomonoglycosylceramide having N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl as the sialomonoglycosyl component.
Secondary ChEBI IDs	CHEBI:7218, CHEBI:21625
Last Modified	15 October 2018
Downloads	Molfile

Formula	C36H63N2O16R
Net Charge	0
Average Mass (excl. R groups)	779.891
Monoisotopic Mass (excl. R groups)	779.41776
SMILES	*C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O2)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Biological Role:

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosylceramide (CHEBI:27499) has role mouse metabolite (CHEBI:75771)
	N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosylceramide (CHEBI:27499) is a sialomonoglycosylceramide (CHEBI:36546)
	N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosylceramide (CHEBI:27499) is conjugate acid of N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosylceramide(1−) (CHEBI:78482)
Incoming Relation(s)
	N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosylceramide(1−) (CHEBI:78482) is conjugate base of N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosylceramide (CHEBI:27499)

IUPAC Name
(2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranoside

Synonyms	Source
NeuAcα2-3Galβ-Cer	LIPID MAPS
α-Neu5Ac-(2→3)-β-D-Gal-(1↔1')-Cer	ChEBI
α-Neup5Ac-(2→3)-β-D-Galp-(1↔1')-Cer	ChEBI
(Gal)1 (Neu5Ac)1 (Cer)1	KEGG GLYCAN
ganglioside GM4	ChEBI
(2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 3-O-(5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl)-β-D-galactopyranoside	IUPAC

Manual Xrefs	Databases
C06128	KEGG COMPOUND
LMSP0601AA00	LIPID MAPS
G00317	KEGG GLYCAN

Citations