CHEBI:72462 - β-Neup5Gc-(2→6)-β-D-Galp-(1→4)-D-GlcpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-Neup5Gc-(2→6)-β-D-Galp-(1→4)-D-GlcpNAc
ChEBI ID CHEBI:72462
ChEBI ASCII Name beta-Neup5Gc-(2->6)-beta-D-Galp-(1->4)-D-GlcpNAc
Definition A linear amino trisaccharide comprising an N-glycoloyl-β-neuraminyl residue (2→6)-linked to a β-D-galactosyl residue, which is in turn linked (1→4) to N-acetyl-β-D-glucosamine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H42N2O20
Net Charge 0
Average Mass 690.60240
Monoisotopic Mass 690.23309
InChI InChI=1S/C25H42N2O20/c1-7(31)26-14-17(37)20(10(4-29)44-22(14)40)46-23-19(39)18(38)16(36)11(45-23)6-43-25(24(41)42)2-8(32)13(27-12(34)5-30)21(47-25)15(35)9(33)3-28/h8-11,13-23,28-30,32-33,35-40H,2-6H2,1H3,(H,26,31)(H,27,34)(H,41,42)/t8-,9+,10+,11+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22?,23-,25-/m0/s1
InChIKey KMBOIMJYMGOHLU-LYMPMLQISA-N
SMILES [H][C@]1(O[C@](C[C@H](O)[C@H]1NC(=O)CO)(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](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 β-Neup5Gc-(2→6)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:72462) has role epitope (CHEBI:53000)
β-Neup5Gc-(2→6)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:72462) is a amino trisaccharide (CHEBI:59266)
β-Neup5Gc-(2→6)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:72462) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name
3,5-dideoxy-5-(glycoloylamino)-D-glycero-β-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms Sources
β-N-glycoloylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamine ChEBI
β-Neu5Gc-(2→6)-β-D-Gal-(1→4)-D-GlcNAc ChEBI
Neu5Gcb2-6Galb1-4GlcNAc ChEBI
Neu5Gcβ2-6Galβ1-4GlcNAc ChEBI
WURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2b_2-6_5*NCCO/3=O]/1-2-3/a4-b1_b6-c2 GlyTouCan
Manual Xrefs Databases
G22203BB GlyGen
G22203BB 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