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CHEBI:71595 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc

ChEBI IDCHEBI:71595
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-D-GalpNAc
DefinitionA branched amino hexasaccharide comprised of a linear sequence of N-acetyl-α-neuraminyl, β-D-galactosyl and N-acetyl-D-glucosamine residues linked (2→3) and (1→3), to the N-acetyl-D-glucosamine residue of which is also linked (1→6) a linear trisaccharide sequence of N-acetyl-α-neuraminyl, β-D-galactosyl and N-acetyl-D-glucosamine residues linked (2→3) and (1→4).
Last Modified20 April 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC50H82N4O37
Net Charge0
Average Mass1331.197
Monoisotopic Mass1330.46579
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@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O6)[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=2.0/4,6,5/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-2-3/a3-b1_a6-d1_b3-c2_d4-e1_e3-f2
InChIInChI=1S/C50H82N4O37/c1-13(60)51-25-17(64)5-49(47(77)78,88-39(25)29(68)19(66)7-55)90-41-31(70)21(9-57)83-45(35(41)74)86-37-23(11-59)85-44(27(34(37)73)53-15(3)62)81-12-24-33(72)38(28(43(76)82-24)54-16(4)63)87-46-36(75)42(32(71)22(10-58)84-46)91-50(48(79)80)6-18(65)26(52-14(2)61)40(89-50)30(69)20(67)8-56/h17-46,55-59,64-76H,5-12H2,1-4H3,(H,51,60)(H,52,61)(H,53,62)(H,54,63)(H,77,78)(H,79,80)/t17-,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+,45-,46-,49-,50-/m0/s1
InChIKeyASGIYJFFOLGEPX-SRSRYMLISA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc (CHEBI:71595) is a amino hexasaccharide (CHEBI:61855)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc (CHEBI:71595) is a galactosamine oligosaccharide (CHEBI:22484)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc (CHEBI:71595) is a glucosamine oligosaccharide (CHEBI:22485)
Incoming Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-GalpNAc (CHEBI:87005) is a α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc (CHEBI:71595)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-[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)]-D-galactopyranose
Synonyms  Source
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)]-D-GalNAcChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)]-D-galactoseChEBI
Neu5Acα2-3Galβ1-3(Neu5Acα2-3Galβ1-4GlcNAcβ1-6)GalNAcChEBI
Manual XrefsDatabases
G92147QPGlyTouCan
G66489LJGlyTouCan
G66489LJGlyGen
G92147QPGlyGen
Citations