CHEBI:27691 - α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer

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ChEBI Name α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer ChEBI ID CHEBI:27691 ChEBI ASCII Name alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer Definition A sialotetraosylceramide consisting of a branched heptasaccharide made up from three sialyl residues, two galactose residues, one N-acetylglucosamine residue and a glucose residue at the reducing end attached to the ceramide portion via a β-linkage. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:5231, CHEBI:21171 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C78H130N5O47R Net Charge 0 Average Mass (excl. R groups) 1889.87210 Monoisotopic Mass (excl. R groups) 1888.79361 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](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]4CO)[C@H](O)[C@H]3O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Homo sapiens (NCBI:txid9606) See: DOI Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer ) mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer ) View more via ChEBI Ontology ChEBI Ontology Outgoing α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer (CHEBI:27691) has role human metabolite (CHEBI:77746) α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer (CHEBI:27691) has role mouse metabolite (CHEBI:75771) α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer (CHEBI:27691) is a sialotetraosylceramide (CHEBI:36543) α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer (CHEBI:27691) is conjugate acid of α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer(3−) (CHEBI:78447) Incoming α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer(3−) (CHEBI:78447) is conjugate base of α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer (CHEBI:27691) IUPAC Name (2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-[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→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside Synonyms Sources (Gal)2 (GalNAc)1 (Glc)1 (Neu5Ac)3 (Cer)1 KEGG GLYCAN α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-Galp-(1→3)-β-GalpNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-Galp-(1→4)-β-Glcp-(1↔1')-Cer ChEBI Ganglioside GT1a ChEBI GT1a KEGG GLYCAN GT1a ChEBI Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer KEGG COMPOUND Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)LacCer KEGG COMPOUND Neu5Acα2-8Neu5Acα2-3Galβ1-3GalNAcβ1-4(Neu5Acα2-3)Galβ1-4Glcβ1-1'Cer ChEBI Neu5Acα2→8Neu5Acα2→3Galβ1→3GalNAcβ1→4(Neu5Acα2→3)Galβ1→4Glc-Cer ChEBI Manual Xrefs Databases C06138 KEGG COMPOUND G00112 KEGG GLYCAN LMSP0601AW00 LIPID MAPS View more database links Citations Types Sources 1371229 PubMed citation Europe PMC 1567198 PubMed citation Europe PMC 17130419 PubMed citation Europe PMC 1724444 PubMed citation Europe PMC 25748038 PubMed citation Europe PMC 25867522 PubMed citation Europe PMC 26050638 PubMed citation Europe PMC 27485170 PubMed citation Europe PMC Last Modified 15 October 2018