CHEBI:141460 - ganglioside GM2 (8:0)

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ChEBI Name ganglioside GM2 (8:0) ChEBI ID CHEBI:141460 Definition A sialotriaosylceramide that is N-acetyl-β-D-galactosaminyl-(1→4)-α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is octanoyl. A synthetic modification of the natural ganglioside GM2. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C57H101N3O26 Net Charge 0 Average Mass 1244.419 Monoisotopic Mass 1243.66733 InChI InChI=1S/C57H101N3O26/c1-5-7-9-11-12-13-14-15-16-17-18-20-21-23-34(67)33(60-40(70)24-22-19-10-8-6-2)30-79-54-47(75)46(74)49(38(28-63)81-54)83-55-48(76)52(50(39(29-64)82-55)84-53-42(59-32(4)66)45(73)44(72)37(27-62)80-53)86-57(56(77)78)25-35(68)41(58-31(3)65)51(85-57)43(71)36(69)26-61/h21,23,33-39,41-55,61-64,67-69,71-76H,5-20,22,24-30H2,1-4H3,(H,58,65)(H,59,66)(H,60,70)(H,77,78)/b23-21+/t33-,34+,35-,36+,37+,38+,39+,41+,42+,43+,44-,45+,46+,47+,48+,49+,50-,51+,52+,53-,54+,55-,57-/m0/s1 InChIKey APYLVCBVYOHMIT-VCEWEMPGSA-N SMILES [C@@]1(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O)CO)O)[H])(C(O)=O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O)NC(C)=O ChEBI Ontology Outgoing ganglioside GM2 (8:0) (CHEBI:141460) is a sialotriaosylceramide (CHEBI:36541) IUPAC Name (2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-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→3)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside Synonyms Sources β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-octanoylsphingosine ChEBI β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1)-N-octanoylsphingosine ChEBI Citation Type Source 1691018 PubMed citation Europe PMC Last Modified 19 July 2018