alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(1-) (CHEBI:60065)

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CHEBI:60065 - α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-acylsphingosine(1−)

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ChEBI ID	CHEBI:60065
ChEBI Name	α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-acylsphingosine(1−)
Stars
ASCII Name	alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(1-)
Definition	A carbohydrate acid derivative anion that is the conjugate base of α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosylceramide arising from deprotonation of the neuraminosyl carboxy group; major species at pH 7.3.
Last Modified	21 September 2023
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C42H72N2O21R
Net Charge	-1
Average Mass (excl. R groups)	941.022
Monoisotopic Mass (excl. R groups)	940.46276
SMILES	*C(=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@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)

Roles Classification

Biological Role:

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology

Outgoing Relation(s)
	α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-acylsphingosine(1−) (CHEBI:60065) has role human metabolite (CHEBI:77746)
	α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-acylsphingosine(1−) (CHEBI:60065) is a monocarboxylic acid anion (CHEBI:35757)
	α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-acylsphingosine(1−) (CHEBI:60065) is a monosialodiglycosylceramide(1−) (CHEBI:88071)
	α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-acylsphingosine(1−) (CHEBI:60065) is a α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-ceramide(1−) (CHEBI:79210)
	α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-acylsphingosine(1−) (CHEBI:60065) is conjugate base of α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide (CHEBI:15681)
Incoming Relation(s)
	α-Neu5Ac-(2→3)-β-Gal-(1→4)-β-Glc-(1↔1')-Cer(d18:1/18:0)(1−) (CHEBI:88235) is a α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-acylsphingosine(1−) (CHEBI:60065)
	α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide (CHEBI:15681) is conjugate acid of α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-acylsphingosine(1−) (CHEBI:60065)

Synonym	Source
α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosylceramide	ChEBI

UniProt Name	Source
a ganglioside GM3 (d18:1(4E))	UniProt