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CHEBI:60350 - α-Kdo-(2→8)-α-Kdo-(2→4)-α-Kdo-OAll

ChEBI IDCHEBI:60350
ChEBI Nameα-Kdo-(2→8)-α-Kdo-(2→4)-α-Kdo-OAll
Stars
ASCII Namealpha-Kdo-(2->8)-alpha-Kdo-(2->4)-alpha-Kdo-OAll
DefinitionA trisaccharide derivative consisting of three 3-deoxy-α-D-manno-oct-2-ulopyranonosyl units in a linear sequence with an O-allyl group at the anomeric centre.
Last Modified12 January 2012
SubmitterSteve
DownloadsMolfile
FormulaC27H42O22
Net Charge0
Average Mass718.611
Monoisotopic Mass718.21677
SMILES[H][C@]1([C@H](O)CO)O[C@@](OC[C@@H](O)[C@@]2([H])O[C@@](O[C@@H]3C[C@](OCC=C)(C(=O)O)O[C@]([H])([C@H](O)CO)[C@@H]3O)(C(=O)O)C[C@@H](O)[C@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C27H42O22/c1-2-3-44-26(23(40)41)6-15(18(37)20(48-26)13(33)8-29)46-27(24(42)43)5-11(31)17(36)21(49-27)14(34)9-45-25(22(38)39)4-10(30)16(35)19(47-25)12(32)7-28/h2,10-21,28-37H,1,3-9H2,(H,38,39)(H,40,41)(H,42,43)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,25-,26-,27-/m1/s1
InChIKeySHRGTIVLJDYHDH-RCNNKATQSA-N
Roles Classification
Biological Role:
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
α-Kdo-(2→8)-α-Kdo-(2→4)-α-Kdo-OAll (CHEBI:60350) has role antigen (CHEBI:59132)
α-Kdo-(2→8)-α-Kdo-(2→4)-α-Kdo-OAll (CHEBI:60350) is a trisaccharide derivative (CHEBI:63571)
IUPAC Name 
allyl 3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→8)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid
Synonym  Source
α-Kdo-(2→8)-α-Kdo-(2→4)-α-Kdo-(2→OAll)ChEBI
Citations