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CHEBI:141465 - ganglioside GM2 (18:0) amide

ChEBI IDCHEBI:141465
ChEBI Nameganglioside GM2 (18:0) amide
Stars
DefinitionA sialotriaosylceramide that is ganglioside GM2 (18:0) in which the carboxy function of the sialic acid residue has been converted into a carboxamide.
Last Modified23 July 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC67H122N4O25
Net Charge0
Average Mass1383.716
Monoisotopic Mass1382.83982
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(N)=O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C67H122N4O25/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(81)71-43(44(78)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-89-64-57(86)56(85)59(48(38-74)91-64)93-65-58(87)62(60(49(39-75)92-65)94-63-52(70-42(4)77)55(84)54(83)47(37-73)90-63)96-67(66(68)88)35-45(79)51(69-41(3)76)61(95-67)53(82)46(80)36-72/h31,33,43-49,51-65,72-75,78-80,82-87H,5-30,32,34-40H2,1-4H3,(H2,68,88)(H,69,76)(H,70,77)(H,71,81)/b33-31+/t43-,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60-,61+,62+,63-,64+,65-,67-/m0/s1
InChIKeyMQHHBGQOSALIJV-HDBOBKCLSA-N
ChEBI Ontology
Outgoing Relation(s)
ganglioside GM2 (18:0) amide (CHEBI:141465) has functional parent ganglioside GM2 (18:0) (CHEBI:60327)
ganglioside GM2 (18:0) amide (CHEBI:141465) is a dicarboxylic acid diamide (CHEBI:35779)
ganglioside GM2 (18:0) amide (CHEBI:141465) 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)-[(5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosyluronamide)-(2→3)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside
Synonyms  Source
β-D-GalNAc-(1→4)-[α-NeuAN5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-stearoylsphingosineChEBI
β-D-GalNAc-(1→4)-[α-NeuAN5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1)-N-octadecanoylsphingosineChEBI
β-D-GalNAc-(1→4)-[α-NeuAN5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1)-N-stearoylsphingosineChEBI
β-D-GalNAc-(1→4)-[α-NeuAN5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-octadecanoylsphingosineChEBI
Citations