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CHEBI:87458 - α-Neup5Ac-(2→6)-β-D-Galp-(1→3)-β-DGlcpNAc-(1→3)-[β-D-Galp-(1→4)-β-DGlcpNAc-(1→6)]-β-D-Galp-(1→4)-D-Glcp

Default Structure
ChEBI IDCHEBI:87458
ChEBI Nameα-Neup5Ac-(2→6)-β-D-Galp-(1→3)-β-DGlcpNAc-(1→3)-[β-D-Galp-(1→4)-β-DGlcpNAc-(1→6)]-β-D-Galp-(1→4)-D-Glcp
Stars
ASCII Namealpha-Neup5Ac-(2->6)-beta-D-Galp-(1->3)-beta-DGlcpNAc-(1->3)-[beta-D-Galp-(1->4)-beta-DGlcpNAc-(1->6)]-beta-D-Galp-(1->4)-D-Glcp
DefinitionA branched amino heptasaccharide consisting of a linear pentasaccharide chain of α-sialyl, β-D-galactose, N-acetyl-β-D-glucosamine, β-D-galactose and D-glucose residues linked sequentially (2→6), (1→3), (1→3) and (1→4), to the galactose residue nearest to the reducing end is also linked (1→6) a β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl disaccharide unit.
Last Modified22 January 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC51H85N3O39
Net Charge0
Average Mass1364.223
Monoisotopic Mass1363.47602
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](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(O)O[C@@H]5CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H]4O)[C@@H]3NC(C)=O)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C51H85N3O39/c1-12(60)52-23-15(63)4-51(50(79)80,93-42(23)26(65)16(64)5-55)82-11-21-28(67)33(72)37(76)48(88-21)91-41-25(54-14(3)62)46(84-18(7-57)29(41)68)92-43-30(69)19(8-58)86-49(38(43)77)90-40-22(83-44(78)35(74)34(40)73)10-81-45-24(53-13(2)61)31(70)39(20(9-59)87-45)89-47-36(75)32(71)27(66)17(6-56)85-47/h15-49,55-59,63-78H,4-11H2,1-3H3,(H,52,60)(H,53,61)(H,54,62)(H,79,80)/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?,45+,46-,47-,48-,49-,51+/m0/s1
InChIKeyHVRJDRYYTZVPNQ-ZARSOVELSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→6)-β-D-Galp-(1→3)-β-DGlcpNAc-(1→3)-[β-D-Galp-(1→4)-β-DGlcpNAc-(1→6)]-β-D-Galp-(1→4)-D-Glcp (CHEBI:87458) is a amino heptasaccharide (CHEBI:70970)
α-Neup5Ac-(2→6)-β-D-Galp-(1→3)-β-DGlcpNAc-(1→3)-[β-D-Galp-(1→4)-β-DGlcpNAc-(1→6)]-β-D-Galp-(1→4)-D-Glcp (CHEBI:87458) 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→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-[β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-D-glucopyranose
Synonyms  Source
N-acetyl-α-neuraminosyl-(2→6)-β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-[β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)]-D-glucoseChEBI
N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-[β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)]-D-glucoseChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→6)-O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-O-[O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-D-glucopyranoseChEBI
Galb1-4GlcNAcb1-6(Neu5Aca2-6Galb1-3GlcNAcb1-3)Galb1-4GlcChEBI
Galβ1-4GlcNAcβ1-6(Neu5Acα2-6Galβ1-3GlcNAcβ1-3)Galβ1-4GlcChEBI
Neu5Acα2-6Galβ1-3GlcNAcβ1-3(Galβ1-4GlcNAcβ1-6)Galβ1-4GlcChEBI
Citations