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CHEBI:72446 - α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-[β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp

ChEBI IDCHEBI:72446
ChEBI Nameα-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-[β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp
Stars
ASCII Namealpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-[beta-D-GalpNAc-(1->4)]-beta-D-Galp-(1->4)-beta-D-Glcp
DefinitionA branched amino hexasaccharide consisting of a chain of three α-sialyl residues, a β-D-galactosyl residue and a β-D-glucose residue linked sequentially (2→8), (2→8), (2→3) and (1→4), to the galactosyl residue of which is also linked (1→4) an N-acetyl-β-D-galactosaminyl residue. The carbohydrate moiety of ganglioside GT2.
Last Modified27 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC53H86N4O40
Net Charge0
Average Mass1419.259
Monoisotopic Mass1418.48183
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](CO)[C@@H](O)[C@]3([H])O[C@@](O[C@@H]4[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)O[C@H](CO)[C@@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)(C(=O)O)C[C@H](O)[C@H]3NC(C)=O)(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/C53H86N4O40/c1-14(64)54-27-18(68)5-51(48(81)82,94-41(27)31(72)21(71)8-58)92-23(10-60)33(74)42-28(55-15(2)65)19(69)6-52(95-42,49(83)84)93-24(11-61)34(75)43-29(56-16(3)66)20(70)7-53(96-43,50(85)86)97-44-38(79)47(90-39-25(12-62)87-45(80)37(78)36(39)77)89-26(13-63)40(44)91-46-30(57-17(4)67)35(76)32(73)22(9-59)88-46/h18-47,58-63,68-80H,5-13H2,1-4H3,(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,81,82)(H,83,84)(H,85,86)/t18-,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+,45+,46-,47-,51+,52+,53-/m0/s1
InChIKeyPHZYRUOONBDALQ-NBZTYAIBSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-[β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:72446) is a amino hexasaccharide (CHEBI:61855)
α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-[β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:72446) is a galactosamine oligosaccharide (CHEBI:22484)
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→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonyl-(2→3)-[2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose
Synonyms  Source
N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)-[N-acetyl-β-D-galactosaminyl-(1→4)]-β-D-galactosyl-(1→4)-β-D-glucoseChEBI
α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-[β-D-GalNAc-(1→4)]-β-D-Gal-(1→4)-β-D-GlcChEBI
Neu5Acα2-8Neu5Acα2-8Neu5Acα2-3(GalNAcβ1-4)Galβ1-4GlcβChEBI
Neu5Aca2-8Neu5Aca2-8Neu5Aca2-3(GalNAcab1-4)Galb1-4GlcbChEBI
GalNAcb1-4(Neu5Aca2-8Neu5Aca2-8Neu5Aca2-3)Galb1-4GlcbChEBI
O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→4)-O-[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→8)-O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→8)-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)]-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoseChEBI
Citations