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CHEBI:68622 - β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc

ChEBI IDCHEBI:68622
ChEBI Nameβ-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc
Stars
ASCII Namebeta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-D-GalpNAc
DefinitionAn amino pentasaccharide consisting of N-acetylneuraminic acid, β-D-galactopyranose, 2-acetamido-2-deoxyglucopyranose and 2-acetamido-2-deoxygalactoyranose residues joined in sequence by (2→3), (1→4), and (1→6) glycosidic bonds in which the hydroxy group at position 3 of the 2-acetamido-2-deoxy-D-galactopyranose moiety bearing the anomeric hydroxy group has been converted to the corresponding β-D-galactopyranoside.
Last Modified20 November 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC39H65N3O29
Net Charge0
Average Mass1039.941
Monoisotopic Mass1039.37037
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](OC[C@H]4OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/4,5,4/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4/a3-b1_a6-c1_c4-d1_d3-e2
InChIInChI=1S/C39H65N3O29/c1-10(47)40-19-13(50)4-39(38(61)62,70-32(19)22(52)14(51)5-43)71-33-24(54)16(7-45)66-37(29(33)59)68-30-17(8-46)67-35(20(26(30)56)41-11(2)48)63-9-18-25(55)31(21(34(60)64-18)42-12(3)49)69-36-28(58)27(57)23(53)15(6-44)65-36/h13-37,43-46,50-60H,4-9H2,1-3H3,(H,40,47)(H,41,48)(H,42,49)(H,61,62)/t13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26+,27-,28+,29+,30+,31+,32+,33-,34?,35+,36-,37-,39-/m0/s1
InChIKeyUIRDKPIOTPRKAG-UBHMJAKMSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc (CHEBI:68622) is a acetamides (CHEBI:22160)
β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc (CHEBI:68622) is a amino pentasaccharide (CHEBI:59268)
β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc (CHEBI:68622) is a monocarboxylic acid (CHEBI:25384)
IUPAC Names 
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-D-galactopyranose
Synonym  Source
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→3)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→6)-[β-D-galacto-hexopyranosyl-(1→3)]-2-acetamido-2-deoxy-D-galacto-hexopyranoseIUPAC
Manual XrefsDatabases
G86199GKGlyTouCan
G00592KEGG GLYCAN
G86199GKGlyGen