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CHEBI:141460 - ganglioside GM2 (8:0)

ChEBI IDCHEBI:141460
ChEBI Nameganglioside GM2 (8:0)
Stars
DefinitionA 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.
Last Modified19 July 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC57H101N3O26
Net Charge0
Average Mass1244.430
Monoisotopic Mass1243.66733
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H](NC(=O)CCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)O[C@@H]3CO)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=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
InChIKeyAPYLVCBVYOHMIT-VCEWEMPGSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-octanoylsphingosineChEBI
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1)-N-octanoylsphingosineChEBI
Citations