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

Default Structure
ChEBI IDCHEBI:141482
ChEBI Nameganglioside GM2 (18:0) (NeuAc-N-deacetyl)
Stars
ASCII Nameganglioside GM2 (18:0) (NeuAc-N-deacetyl)
DefinitionA sialotriaosylceramide that is ganglioside GM2 (18:0) in which the sialo N-acetyl group has been deacetylated.
Last Modified23 July 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC63H115N3O23
Net Charge0
Average Mass1282.611
Monoisotopic Mass1281.79214
SMILES[H][C@@]1(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)O)C[C@H](O)[C@H]1N
InChIInChI=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
InChIKeyRIEIOIGHWAFSDT-KJSJDBQTSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
ganglioside GM2 (NeuAc-N-deacetyl)ChEBI
GM2 (NeuAc-N-deacetyl)ChEBI
β-D-GalNAc-(1→4)-[α-Neu-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-octadecanoylsphingosineChEBI
β-D-GalNAc-(1→4)-[α-Neu-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1)-N-octadecanoylsphingosineChEBI
β-D-GalNAc-(1→4)-[α-Neu-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-stearoylsphingosineChEBI
β-D-GalNAc-(1→4)-[α-Neu-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1)-N-stearoylsphingosineChEBI
Citations