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CHEBI:71594 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAc

Default Structure
ChEBI IDCHEBI:71594
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)]-beta-D-GlcpNAc
DefinitionAn amino pentasaccharide consisting of two N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl units linked (1→3) and (1→4) to an N-acetyl-β-D-glucosamine residue at the reducing end.
Last Modified25 June 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H69N3O32
Net Charge0
Average Mass1128.003
Monoisotopic Mass1127.38642
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](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[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]3O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-3/a3-b1_a4-d1_b3-c2_d3-e2
InChIInChI=1S/C42H69N3O32/c1-11(51)43-21-14(54)4-41(39(65)66,74-31(21)24(58)16(56)6-46)76-34-26(60)18(8-48)70-37(28(34)62)72-30-20(10-50)69-36(64)23(45-13(3)53)33(30)73-38-29(63)35(27(61)19(9-49)71-38)77-42(40(67)68)5-15(55)22(44-12(2)52)32(75-42)25(59)17(57)7-47/h14-38,46-50,54-64H,4-10H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)(H,65,66)(H,67,68)/t14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32+,33+,34-,35-,36+,37-,38-,41-,42-/m0/s1
InChIKeyMJLWBGNNRFKTKY-AAOFEPKHSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
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 (CHEBI:71594) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAc (CHEBI:71594) is a amino pentasaccharide (CHEBI:59268)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)]-β-D-GlcpNAc (CHEBI:71594) is a glucosamine oligosaccharide (CHEBI:22485)
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-glucopyranose
Synonyms  Source
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-glucosamineChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→3)-O-[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-β-D-glucopyranoseChEBI
Neu5Aca2-3Galb1-4(Neu5Aca2-3Galb1-3)GlcNAcbChEBI
Neu5Acα2-3Galβ1-3(Neu5Acα2-3Galβ1-4)GlcNAcβChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)]-β-D-GlcNAcChEBI
β-D-glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→3)-O-[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-ChEBI
Manual XrefsDatabases
G03044EDGlyGen
G03044EDGlyTouCan
Citations