CHEBI:71612 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc
ChEBI ID CHEBI:71612
ChEBI ASCII Name alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
Definition α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc with β configuration at the anomeric position of the reducing-end N-acetyl-D-glucosamine residue.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H42N2O19
Net Charge 0
Average Mass 674.60300
Monoisotopic Mass 674.23818
InChI InChI=1S/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-16(36)11(5-29)43-23(18(21)38)44-19-12(6-30)42-22(39)14(17(19)37)27-8(2)32/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20+,21-,22+,23-,25-/m0/s1
InChIKey GVXWGQLSDZJHFY-SDJLXEQRSA-N
SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[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→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71612) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71612) is a α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:52472)
IUPAC Name
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 Sources
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc ChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine IUPAC
Neu5Ac (α1-3)Gal (β1-4)GlcNac (β) ChEBI
Neu5Aca2-3Galb1-4GlcNAcb ChEBI
Neu5Acα2-3Galβ1-4GlcNAcβ IUPAC
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranose ChEBI
WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b3-c2 GlyTouCan
Manual Xrefs Databases
G00065MO GlyGen
G00065MO GlyTouCan
View more database links
Citations Waiting for Citations Types Sources
15607650 PubMed citation Europe PMC
19443021 PubMed citation Europe PMC
25568069 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
Last Modified
30 May 2023