CHEBI:141482 - ganglioside GM2 (18:0) (NeuAc-N-deacetyl)

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ChEBI Name ganglioside GM2 (18:0) (NeuAc-N-deacetyl) ChEBI ID CHEBI:141482 ChEBI ASCII Name ganglioside GM2 (18:0) (NeuAc-N-deacetyl) Definition A sialotriaosylceramide that is ganglioside GM2 (18:0) in which the sialo N-acetyl group has been deacetylated. 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 C63H115N3O23 Net Charge 0 Average Mass 1282.596 Monoisotopic Mass 1281.79214 InChI InChI=1S/C63H115N3O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-48(74)66-41(42(72)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)39-82-60-54(78)53(77)56(46(37-69)84-60)86-61-55(79)58(89-63(62(80)81)34-43(73)49(64)44(35-67)88-63)57(47(38-70)85-61)87-59-50(65-40(3)71)52(76)51(75)45(36-68)83-59/h30,32,41-47,49-61,67-70,72-73,75-79H,4-29,31,33-39,64H2,1-3H3,(H,65,71)(H,66,74)(H,80,81)/b32-30+/t41-,42+,43-,44-,45+,46+,47+,49+,50+,51-,52+,53+,54+,55+,56+,57-,58+,59-,60+,61-,63-/m0/s1 InChIKey RIEIOIGHWAFSDT-KJSJDBQTSA-N SMILES [C@@]1(O[C@]([C@H](N)[C@H](C1)O)(CO)[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)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) (NeuAc-N-deacetyl) (CHEBI:141482) has functional parent ganglioside GM2 (18:0) (CHEBI:60327) ganglioside GM2 (18:0) (NeuAc-N-deacetyl) (CHEBI:141482) 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-amino-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-Neu-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-octadecanoylsphingosine ChEBI β-D-GalNAc-(1→4)-[α-Neu-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-stearoylsphingosine ChEBI β-D-GalNAc-(1→4)-[α-Neu-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1)-N-octadecanoylsphingosine ChEBI β-D-GalNAc-(1→4)-[α-Neu-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1)-N-stearoylsphingosine ChEBI ganglioside GM2 (NeuAc-N-deacetyl) ChEBI GM2 (NeuAc-N-deacetyl) ChEBI Citation Type Source 1691018 PubMed citation Europe PMC Last Modified 23 July 2018