CHEBI:28648 - β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer
ChEBI ID CHEBI:28648
ChEBI ASCII Name beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
Definition A sialotriaosylceramide consisting of the pentasaccharide β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc attached to the primary hydroxy function of ceramide.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5247, CHEBI:5210, CHEBI:21178
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Formula C61H103N4O34R
Net Charge 0
Average Mass (excl. R groups) 1436.47690
Monoisotopic Mass (excl. R groups) 1435.64537
SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]1CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO
Metabolite of Species Details
Mus musculus (NCBI:txidtxid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txidtxid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28648) has part α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-Glcp-yl group (CHEBI:142532)
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28648) has part β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-R group (CHEBI:142522)
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28648) has role human metabolite (CHEBI:77746)
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28648) has role mouse metabolite (CHEBI:75771)
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28648) is a N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminyl-(2→8)-α-N-acetylneuraminyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-ceramide (CHEBI:79219)
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28648) is a sialotriaosylceramide (CHEBI:36541)
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28648) is conjugate acid of β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1ʼ)-Cer(2−) (CHEBI:78542)
Incoming β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp-(1↔1')-Cer(d18:1/18:0) (CHEBI:87516) is a β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28648)
β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1ʼ)-Cer(2−) (CHEBI:78542) is conjugate base of β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28648)
IUPAC Name
(2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl]-(2→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside
Synonyms Sources
(Gal)1 (GalNAc)1 (Glc)1 (Neu5Ac)2 (Cer)1 KEGG GLYCAN
β-GalpNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Galp-(1→4)-β-Glcp-(1↔1')-Cer ChEBI
disialoganglioside GD2 ChEBI
GalNAc(β1-4)[NeuAc(α2-8)NeuAc(α2-3)]Gal(β1-4)Glc(β1-1)Cer ChEBI
GalNAc-beta1->4(NeuAc-alpha2->8NeuAc2->3)Gal-beta1->4Glc-beta1->1'Cer KEGG COMPOUND
GalNAc-beta1->4(NeuAc-alpha2->8NeuAc2->3)LacCer KEGG COMPOUND
GalNAcβ1-4(NeuAcα2-8NeuAcα2-3)Galβ1-4Glcβ1-1'Cer ChEBI
GalNAcβ1→4(NeuAcα2→8NeuAcα2→3)Galβ1→4Glc-Cer ChEBI
ganglioside GD2 ChEBI
GD2 KEGG COMPOUND
Manual Xrefs Databases
C06134 KEGG COMPOUND
G00114 KEGG GLYCAN
GD2 Wikipedia
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Citations Waiting for Citations Types Sources
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Last Modified
07 December 2018