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CHEBI:71441 - α-KDN-(2→3)-β-D-Galp-(1→4)-D-Glcp

ChEBI IDCHEBI:71441
ChEBI Nameα-KDN-(2→3)-β-D-Galp-(1→4)-D-Glcp
Stars
ASCII Namealpha-KDN-(2->3)-beta-D-Galp-(1->4)-D-Glcp
DefinitionA linear trisaccharide consisting of α-KDN, β-D-galactose and D-glucosamine residues linked sequentially (2→3) and (1→4).
Last Modified12 December 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H36O19
Net Charge0
Average Mass592.500
Monoisotopic Mass592.18508
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1x_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6]/1-2-3/a4-b1_b3-c2
InChIInChI=1S/C21H36O19/c22-2-6(26)10(28)16-9(27)5(25)1-21(39-16,20(34)35)40-17-11(29)7(3-23)37-19(14(17)32)38-15-8(4-24)36-18(33)13(31)12(15)30/h5-19,22-33H,1-4H2,(H,34,35)/t5-,6+,7+,8+,9+,10+,11-,12+,13+,14+,15+,16+,17-,18?,19-,21-/m0/s1
InChIKeyDMRPWEVBRFPALU-VOVGBJGJSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
α-KDN-(2→3)-β-D-Galp-(1→4)-D-Glcp (CHEBI:71441) has role epitope (CHEBI:53000)
α-KDN-(2→3)-β-D-Galp-(1→4)-D-Glcp (CHEBI:71441) is a trisaccharide (CHEBI:27150)
IUPAC Name 
3-deoxy-D-glycero-α-D-galacto-non-2-ulopyranosonyl-(2→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranose
Synonyms  Source
(6R)-3-deoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranoseIUPAC
α-KDN-(2→3)-β-D-Gal-(1→4)-D-GlcChEBI
deamino-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-D-glucoseChEBI
KDNα2-3Galβ1-4GlcChEBI
Citations