CHEBI:133483 - β-D-GalNAc-(1→4)-[α-Neu5Gc-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer

ChEBI IDCHEBI:133483
ChEBI Nameβ-D-GalNAc-(1→4)-[α-Neu5Gc-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer
Stars
ASCII Namebeta-D-GalNAc-(1->4)-[alpha-Neu5Gc-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
DefinitionA sialotriaosylceramide consisting of the tetrasaccharide β-D-GalNAc-(1→4)-[α-Neu5Gc-(2→3)]-β-D-Gal-(1→4)-β-D-Glc attached to the primary hydroxy function of ceramide.
Last Modified11 October 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC50H86N3O27R
Net Charge0
Average Mass (excl. R groups)1161.224
Monoisotopic Mass (excl. R groups)1160.54487
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]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[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 MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (2449247)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
β-D-GalNAc-(1→4)-[α-Neu5Gc-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:133483) has role mouse metabolite (CHEBI:75771)
β-D-GalNAc-(1→4)-[α-Neu5Gc-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:133483) is a sialotriaosylceramide (CHEBI:36541)
IUPAC Name 
(2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[3,5-dideoxy-5-(glycoloylamino)-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside
Synonyms  Source
β-D-GalNAc-(1→4)-[α-Neu5Gc-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-CerChEBI
GM2(NeuGc)ChEBI
GM2(NeuGc)ChEBI
(2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-enyl N-acetyl-β-D-galactosaminyl-(1→4)-[3,5-dideoxy-5-(glycoloylamino)-D-glycero-α-D-galacto-non-2-ulonosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosideChEBI
Citations