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CHEBI:157232 - α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-β-D-GalpNAc

ChEBI IDCHEBI:157232
ChEBI Nameα-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-β-D-GalpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-beta-D-GalpNAc
DefinitionA linear amino tetrasaccharide consisting of N-acetyl-α-neuraminyl, β-D-galactosyl, N-acetyl-β-glucosyl and N-acetyl-β-D-galactosamine residues linked sequentially (2→6), (1→4) and (1→6).
Last Modified11 March 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC33H55N3O24
Net Charge0
Average Mass877.800
Monoisotopic Mass877.31755
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)O[C@H]1O
WURCSWURCS=2.0/4,4,3/[a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a6-b1_b4-c1_c6-d2
InChIInChI=1S/C33H55N3O24/c1-9(39)34-17-12(42)4-33(32(52)53,60-28(17)20(44)13(43)5-37)55-8-16-22(46)25(49)26(50)31(58-16)59-27-14(6-38)57-30(19(24(27)48)36-11(3)41)54-7-15-21(45)23(47)18(29(51)56-15)35-10(2)40/h12-31,37-38,42-51H,4-8H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(H,52,53)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24+,25-,26+,27+,28+,29+,30+,31-,33+/m0/s1
InChIKeyGBKKEZSPHOXCMH-PQQNRFHPSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-β-D-GalpNAc (CHEBI:157232) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-β-D-GalpNAc (CHEBI:157232) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-galactopyranose
Synonyms  Source
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-6)b-GalNAcSUBMITTER
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2→6)-beta-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→6)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranoseSUBMITTER
(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3R,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acidChEBI
Manual XrefsDatabases
G64482PBGlyTouCan
G64482PBGlyGen