CHEBI:141464 - lyso-GM2

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ChEBI Name lyso-GM2 ChEBI ID CHEBI:141464 Definition A 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. 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 C49H87N3O25 Net Charge 0 Average Mass 1118.222 Monoisotopic Mass 1117.56287 InChI InChI=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 InChIKey HJGYLPAYCLTJHY-MHSYEPQSSA-N SMILES [C@@]1(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O)CO)O)[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)N)[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 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 Sources β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-sphingosine ChEBI β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1)-sphingosine ChEBI Citation Type Source 1691018 PubMed citation Europe PMC Last Modified 19 July 2018