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CHEBI:60382 - α-D-Kdo-(2→8)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→4)-α-D-Kdo

ChEBI IDCHEBI:60382
ChEBI Nameα-D-Kdo-(2→8)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→4)-α-D-Kdo
Stars
ASCII Namealpha-D-Kdo-(2->8)-[alpha-D-Kdo-(2->4)]-alpha-D-Kdo-(2->4)-alpha-D-Kdo
DefinitionA brached tetrasaccharide epitope consisting of four 3-deoxy-α-D-manno-oct-2-ulopyranonosyl residues, linked as shown.
Last Modified8 October 2010
SubmitterSteve
DownloadsMolfile
FormulaC32H50O29
Net Charge0
Average Mass898.723
Monoisotopic Mass898.24378
SMILES[H][C@]1([C@H](O)CO)O[C@@](OC[C@@H](O)[C@@]2([H])O[C@@](O[C@@H]3C[C@](O)(C(=O)O)O[C@]([H])([C@H](O)CO)[C@@H]3O)(C(=O)O)C[C@@H](O[C@]3(C(=O)O)C[C@@H](O)[C@@H](O)[C@@]([H])([C@H](O)CO)O3)[C@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
WURCSWURCS=2.0/1,4,3/[Aad1122h-2a_2-6]/1-1-1-1/a4-b2_b4-c2_b8-d2
InChIInChI=1S/C32H50O29/c33-5-11(38)21-17(42)9(36)1-30(59-21,26(48)49)55-8-14(41)24-20(45)16(57-31(27(50)51)2-10(37)18(43)22(60-31)12(39)6-34)4-32(61-24,28(52)53)56-15-3-29(54,25(46)47)58-23(19(15)44)13(40)7-35/h9-24,33-45,54H,1-8H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,29-,30-,31-,32-/m1/s1
InChIKeyNICOKFYERIUMFB-AGBXRWQGSA-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-D-Kdo-(2→8)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→4)-α-D-Kdo (CHEBI:60382) has role epitope (CHEBI:53000)
α-D-Kdo-(2→8)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→4)-α-D-Kdo (CHEBI:60382) is a tetrasaccharide (CHEBI:50126)
IUPAC Name 
3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-[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
Kdo(2→8)[Kdo(2→4)]Kdo(2→4)KdoChEBI
Citations