CHEBI:72471 - α-Neup5,9Ac2-(2→6)-β-D-Galp-(1→3)-β-D-GlcpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-Neup5,9Ac2-(2→6)-β-D-Galp-(1→3)-β-D-GlcpNAc
ChEBI ID CHEBI:72471
ChEBI ASCII Name alpha-Neup5,9Ac2-(2->6)-beta-D-Galp-(1->3)-beta-D-GlcpNAc
Definition A linear amino trisaccharide comprising an N,9-O-diacetyl-α-neuraminyl residue (2→3)-linked to a β-D-galactosyl residue, which is in turn linked (1→3) to N-acetyl-β-D-glucosamine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H44N2O20
Net Charge 0
Average Mass 716.63970
Monoisotopic Mass 716.24874
InChI InChI=1S/C27H44N2O20/c1-8(32)28-15-11(35)4-27(26(42)43,48-22(15)17(37)12(36)7-44-10(3)34)49-23-19(39)14(6-31)46-25(20(23)40)47-21-16(29-9(2)33)24(41)45-13(5-30)18(21)38/h11-25,30-31,35-41H,4-7H2,1-3H3,(H,28,32)(H,29,33)(H,42,43)/t11-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21+,22+,23-,24+,25-,27-/m0/s1
InChIKey ZJQQBKBSYGTLDL-QJLSMRRYSA-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](CO)O[C@@H](O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)COC(C)=O
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-Neup5,9Ac2-(2→6)-β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:72471) has role epitope (CHEBI:53000)
α-Neup5,9Ac2-(2→6)-β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:72471) is a amino trisaccharide (CHEBI:59266)
α-Neup5,9Ac2-(2→6)-β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:72471) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name
5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms Sources
α-Neu5,9Ac2-(2→6)-β-D-Gal-(1→3)-β-D-GlcNAc ChEBI
N,9-O-diacetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosamine ChEBI
Neu5,9Ac2a2-3Galb1-3GlcNAcb ChEBI
Neu5,9Ac2α2-3Galβ1-3GlcNAcβ ChEBI
NeuAc(9Ac)α2-3Galβ1-3GlcNAcβ ChEBI
Citations Waiting for Citations Types Sources
19443021 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
Last Modified
03 March 2020