CHEBI:72617 - α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc
ChEBI ID CHEBI:72617
ChEBI ASCII Name alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc
Definition A linear amino pentasaccharide comprising α-sialyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl, β-D-galactosyl and N-acetyl-β-D-glucosamine residues in a (2→6), (1→4), (1→3) and (1→3) sequence.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C39H65N3O29
Net Charge 0
Average Mass 1039.93610
Monoisotopic Mass 1039.37037
InChI InChI=1S/C39H65N3O29/c1-10(47)40-19-13(50)4-39(38(61)62,71-32(19)22(52)14(51)5-43)63-9-18-23(53)27(57)28(58)36(67-18)68-30-17(8-46)66-35(20(26(30)56)41-11(2)48)70-33-25(55)16(7-45)65-37(29(33)59)69-31-21(42-12(3)49)34(60)64-15(6-44)24(31)54/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
InChIKey WPLYIJJPUZAJNX-VSBGWNQXSA-N
SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]3NC(C)=O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:72617) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:72617) is a amino pentasaccharide (CHEBI:59268)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:72617) 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→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms Sources
α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→3)-β-D-GlcNAc ChEBI
N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosamine ChEBI
Neu5Aca2-6Galb1-4GlcNAcb1-3Galb1-3GlcNAcb ChEBI
Neu5Acα2-6Galβ1-4GlcNAcβ1-3Galβ1-3GlcNAcβ ChEBI
NeuAcα2-6Galβ1-4GlcNAcβ1-3Galβ1-3GlcNAcβ ChEBI
WURCS=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]/1-2-1-2-3/a3-b1_b3-c1_c4-d1_d6-e2 GlyTouCan
Manual Xrefs Databases
G08396BF GlyGen
G08396BF GlyTouCan
View more database links
Citations Waiting for Citations Types Sources
19443021 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
Last Modified
20 April 2021