CHEBI:72009 - α-Neup5Ac-(2→6)-β-D-GlcpNAc-(1→4)-D-GlcpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-Neup5Ac-(2→6)-β-D-GlcpNAc-(1→4)-D-GlcpNAc
ChEBI ID CHEBI:72009
ChEBI ASCII Name alpha-Neup5Ac-(2->6)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc
Definition An amino trisaccharide comprising α-sialyl, N-acetyl-β-D-glucosaminyl and N-acetyl-D-glucosamine linked in a (2→6) and (1→4) sequence.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H45N3O19
Net Charge 0
Average Mass 715.65490
Monoisotopic Mass 715.26473
InChI InChI=1S/C27H45N3O19/c1-8(33)28-15-11(36)4-27(26(43)44,49-23(15)18(38)12(37)5-31)45-7-14-19(39)20(40)17(30-10(3)35)25(47-14)48-22-13(6-32)46-24(42)16(21(22)41)29-9(2)34/h11-25,31-32,36-42H,4-7H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)(H,43,44)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24?,25-,27+/m0/s1
InChIKey LDPRACDVBWJXGZ-OFYLDMBYSA-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(O)O[C@@H]2CO)[C@H](NC(C)=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-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:72009) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→6)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:72009) is a amino trisaccharide (CHEBI:59266)
α-Neup5Ac-(2→6)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:72009) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms Sources
α-Neu5Ac-(2→6)-β-D-GlcNAc-(1→4)-D-GlcNAc ChEBI
N-acetyl-α-neuraminyl-(2→6)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamine ChEBI
Neu5Aca2-6GlcNAcb1-4GlcNAc ChEBI
Neu5Acα2-6GlcNAcβ1-4GlcNAc ChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→6)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucopyranose ChEBI
WURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b6-c2 GlyTouCan
Manual Xref Database
G25824CS GlyTouCan
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Citations Waiting for Citations Types Sources
19443021 PubMed citation Europe PMC
25568069 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
Last Modified
27 June 2023