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CHEBI:141464 - lyso-GM2

ChEBI IDCHEBI:141464
ChEBI Namelyso-GM2
Stars
DefinitionA glycosphingolipid that is N-acetyl-β-D-galactosaminyl-(1→4)-α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucose linked (1↔1') to sphingosine [(2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol]. A synthetic modification of the natural ganglioside GM2.
Last Modified19 July 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC49H87N3O25
Net Charge0
Average Mass1118.231
Monoisotopic Mass1117.56287
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](N)[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/C49H87N3O25/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(59)26(50)23-70-46-39(66)38(65)41(31(21-55)72-46)74-47-40(67)44(42(32(22-56)73-47)75-45-34(52-25(3)58)37(64)36(63)30(20-54)71-45)77-49(48(68)69)18-28(60)33(51-24(2)57)43(76-49)35(62)29(61)19-53/h16-17,26-47,53-56,59-67H,4-15,18-23,50H2,1-3H3,(H,51,57)(H,52,58)(H,68,69)/b17-16+/t26-,27+,28-,29+,30+,31+,32+,33+,34+,35+,36-,37+,38+,39+,40+,41+,42-,43+,44+,45-,46+,47-,49-/m0/s1
InChIKeyHJGYLPAYCLTJHY-MHSYEPQSSA-N
ChEBI Ontology
Outgoing Relation(s)
lyso-GM2 (CHEBI:141464) is a glycosphingolipid (CHEBI:24402)
IUPAC Name 
(2S,3R,4E)-2-amino-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)-sphingosineChEBI
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-sphingosineChEBI
Citations