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CHEBI:141462 - ganglioside GM2 (2:0)

ChEBI IDCHEBI:141462
ChEBI Nameganglioside GM2 (2:0)
Stars
DefinitionA sialotriaosylceramide that is N-acetyl-β-D-galactosaminyl-(1→4)-α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is acetyl. A synthetic modification of the natural ganglioside GM2.
Last Modified19 July 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC51H89N3O26
Net Charge0
Average Mass1160.268
Monoisotopic Mass1159.57343
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(C)=O)[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]1NC(C)=O
InChIInChI=1S/C51H89N3O26/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(62)28(52-25(2)59)24-73-48-41(69)40(68)43(33(22-57)75-48)77-49-42(70)46(44(34(23-58)76-49)78-47-36(54-27(4)61)39(67)38(66)32(21-56)74-47)80-51(50(71)72)19-30(63)35(53-26(3)60)45(79-51)37(65)31(64)20-55/h17-18,28-49,55-58,62-70H,5-16,19-24H2,1-4H3,(H,52,59)(H,53,60)(H,54,61)(H,71,72)/b18-17+/t28-,29+,30-,31+,32+,33+,34+,35+,36+,37+,38-,39+,40+,41+,42+,43+,44-,45+,46+,47-,48+,49-,51-/m0/s1
InChIKeyCBADQUHIYFZLNC-JNLFLLQTSA-N
ChEBI Ontology
Outgoing Relation(s)
ganglioside GM2 (2:0) (CHEBI:141462) is a sialotriaosylceramide (CHEBI:36541)
IUPAC Name 
(2S,3R,4E)-2-acetamido-3-hydroxyoctadec-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-ulopyranonosyl-(2→3)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside
Synonyms  Source
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1)-N-acetylsphingosineChEBI
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-acetylsphingosineChEBI
Citations