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CHEBI:141471 - ganglioside GM2 (18:0) methyl ester

ChEBI IDCHEBI:141471
ChEBI Nameganglioside GM2 (18:0) methyl ester
Stars
DefinitionA sialotriaosylceramide that is ganglioside GM2 (18:0) in which the carboxy function of the sialic acid residue has been esterified to form its methyl ester.
Last Modified23 July 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC68H123N3O26
Net Charge0
Average Mass1398.727
Monoisotopic Mass1397.83948
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)CCCCCCCCCCCCCCCCC)[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)OC)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C68H123N3O26/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-51(81)71-44(45(78)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)41-90-65-58(86)57(85)60(49(39-74)92-65)94-66-59(87)63(61(50(40-75)93-66)95-64-53(70-43(4)77)56(84)55(83)48(38-73)91-64)97-68(67(88)89-5)36-46(79)52(69-42(3)76)62(96-68)54(82)47(80)37-72/h32,34,44-50,52-66,72-75,78-80,82-87H,6-31,33,35-41H2,1-5H3,(H,69,76)(H,70,77)(H,71,81)/b34-32+/t44-,45+,46-,47+,48+,49+,50+,52+,53+,54+,55-,56+,57+,58+,59+,60+,61-,62+,63+,64-,65+,66-,68-/m0/s1
InChIKeyGXWSJTUOPDPAIF-RMQQRNFNSA-N
ChEBI Ontology
Outgoing Relation(s)
ganglioside GM2 (18:0) methyl ester (CHEBI:141471) has functional parent ganglioside GM2 (18:0) (CHEBI:60327)
ganglioside GM2 (18:0) methyl ester (CHEBI:141471) is a methyl ester (CHEBI:25248)
ganglioside GM2 (18:0) methyl ester (CHEBI:141471) is a sialotriaosylceramide (CHEBI:36541)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[(methyl 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosyluronate)-(2→3)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside
Synonyms  Source
β-D-GalNAc-(1→4)-[α-NeuAMe5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-octadecanoylsphingosineChEBI
β-D-GalNAc-(1→4)-[α-NeuAMe5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-stearoylsphingosineChEBI
β-D-GalNAc-(1→4)-[α-NeuAMe5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1)-N-stearoylsphingosineChEBI
β-D-GalpNAc-(1→4)-[α-NeupAMe5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp-(1↔1')-N-octadecanoylsphingosineChEBI
β-D-GalNAc-(1→4)-[α-NeuAMe5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1)-N-octadecanoylsphingosineChEBI
GM2-methylesterChEBI
Citations