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CHEBI:167455 - α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Galp

ChEBI IDCHEBI:167455
ChEBI Nameα-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Galp
Stars
ASCII Namealpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Galp
DefinitionA linear amino hexasaccharide consisting of a sequence of two N-acetyl-α-neuraminic acid residues, a β-D-galactose residue, an N-acetyl-β-D-galactosamine residue, a further β-D-galactose residue abd a β-D-glucose residue linked in sequence (2→8), (2→3), (1→3), (1→4) and (1→4). The oligosaccharide of ganglioside GD1c.
Last Modified4 February 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC48H79N3O37
Net Charge0
Average Mass1290.144
Monoisotopic Mass1289.43924
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](CO)O[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)O[C@@H]6CO)O[C@@H]5CO)[C@@H]4NC(C)=O)[C@@H]3O)(C(=O)O)C[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C48H79N3O37/c1-12(58)49-23-15(61)4-47(45(74)75,86-38(23)26(64)17(63)6-52)85-20(9-55)29(67)39-24(50-13(2)59)16(62)5-48(87-39,46(76)77)88-40-28(66)19(8-54)80-44(34(40)72)84-37-25(51-14(3)60)42(79-18(7-53)27(37)65)82-36-22(11-57)81-43(33(71)31(36)69)83-35-21(10-56)78-41(73)32(70)30(35)68/h15-44,52-57,61-73H,4-11H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)(H,74,75)(H,76,77)/t15-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+,33+,34+,35+,36-,37+,38+,39+,40-,41+,42-,43-,44-,47+,48-/m0/s1
InChIKeyWOEYTSPZGGAGOP-OMKKTBGZSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Galp (CHEBI:167455) is a amino hexasaccharide (CHEBI:61855)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose
Synonyms  Source
GD1c carbohydrate moietyChEBI
α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-β-D-Gal-(1→4)-β-D-GalChEBI
Neu5Acα2-8Neu5Acα2-3Galβ1-3GalNAcβ1-3Galβ1-4GlcβChEBI
Citations