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CHEBI:141485 - α-Neu5Gc-(2→8)-α-Neu5Gc-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer

ChEBI IDCHEBI:141485
ChEBI Nameα-Neu5Gc-(2→8)-α-Neu5Gc-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer
Stars
ASCII Namealpha-Neu5Gc-(2->8)-alpha-Neu5Gc-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
DefinitionA sialodiosylceramide consisting of the tetrasaccharide α-Neu5NGc-(2→8)-α-Neu5NGc-(2→3)-β-D-Gal-(1→4)-β-D-Glc attached to the primary hydroxy function of ceramide.
Last Modified18 October 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC54H93N3O31
Net Charge0
Average Mass1280.328
Monoisotopic Mass1279.57930
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H](CO)[C@@H](O)[C@]2([H])O[C@@](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC[C@H](NC(C)=O)[C@H](O)/C=C/CCCCCCCCCCCCC)O[C@@H]4CO)[C@@H]3O)(C(=O)O)C[C@H](O)[C@H]2NC(=O)CO)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO
InChIInChI=1S/C54H93N3O31/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28(65)27(55-26(2)64)25-81-49-43(75)42(74)45(34(22-61)83-49)84-50-44(76)48(40(72)32(20-59)82-50)88-54(52(79)80)18-30(67)38(57-36(70)24-63)47(87-54)41(73)33(21-60)85-53(51(77)78)17-29(66)37(56-35(69)23-62)46(86-53)39(71)31(68)19-58/h15-16,27-34,37-50,58-63,65-68,71-76H,3-14,17-25H2,1-2H3,(H,55,64)(H,56,69)(H,57,70)(H,77,78)(H,79,80)/b16-15+/t27-,28+,29-,30-,31+,32+,33+,34+,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48-,49+,50-,53+,54-/m0/s1
InChIKeyXQLBLCFJPOLPHO-ORNDSMRHSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neu5Gc-(2→8)-α-Neu5Gc-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:141485) is a sialodiosylceramide (CHEBI:36544)
IUPAC Name 
(2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside
Synonyms  Source
GD3(NeuGc-NeuGc)ChEBI
α-Neu5NGc-(2→8)-α-Neu5NGc-(2→3)-β-D-Galp-(1→4)-β-D-Glcp-(1↔1')-CerChEBI
NeuGcα2-8NeuGcα2-3Galβ1-4Glcβ1-1'CerChEBI
α-N-glycoloylneuraminyl-(2→8)-α-N-glycoloylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramideChEBI
GD3(NeuGc-NeuGc-)ChEBI
α-N-glycoloylneuraminosyl-(2→8)-α-N-glycoloylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramideChEBI
Citations