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

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ChEBI Name ganglioside GM2 (18:0) amide ChEBI ID CHEBI:141465 Definition A sialotriaosylceramide that is ganglioside GM2 (18:0) in which the carboxy function of the sialic acid residue has been converted into a carboxamide. 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 C67H122N4O25 Net Charge 0 Average Mass 1383.700 Monoisotopic Mass 1382.83982 InChI InChI=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 InChIKey MQHHBGQOSALIJV-HDBOBKCLSA-N SMILES [C@@]1(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O)CO)O)[H])(C(N)=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)CCCCCCCCCCCCCCCCC)[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 (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 Sources β-D-GalNAc-(1→4)-[α-NeuAN5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-octadecanoylsphingosine ChEBI β-D-GalNAc-(1→4)-[α-NeuAN5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-stearoylsphingosine ChEBI β-D-GalNAc-(1→4)-[α-NeuAN5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1)-N-octadecanoylsphingosine ChEBI β-D-GalNAc-(1→4)-[α-NeuAN5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1)-N-stearoylsphingosine ChEBI Citation Type Source 1691018 PubMed citation Europe PMC Last Modified 23 July 2018