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CHEBI:60316 - α-D-Kdo-(2→8)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-D-GlcNAc

ChEBI IDCHEBI:60316
ChEBI Nameα-D-Kdo-(2→8)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-D-GlcNAc
Stars
ASCII Namealpha-D-Kdo-(2->8)-alpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->6)-D-GlcNAc
DefinitionA tetrasaccharide composed of three α-D-Kdo residues and one acetylated glucosamine residue. It is a partial structure of chlamydial lipopolysaccharide (LPS).
Last Modified20 May 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC32H51NO27
Net Charge0
Average Mass881.740
Monoisotopic Mass881.26485
SMILES[H][C@]1([C@H](O)CO)O[C@@](OC[C@@H](O)[C@@]2([H])O[C@@](O[C@@H]3C[C@](OC[C@H]4OC(O)[C@H](NC(C)=O)[C@@H](O)[C@@H]4O)(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/C32H51NO27/c1-9(36)33-17-22(46)20(44)16(56-26(17)47)8-55-31(28(50)51)4-15(21(45)24(59-31)13(40)6-35)57-32(29(52)53)3-11(38)19(43)25(60-32)14(41)7-54-30(27(48)49)2-10(37)18(42)23(58-30)12(39)5-34/h10-26,34-35,37-47H,2-8H2,1H3,(H,33,36)(H,48,49)(H,50,51)(H,52,53)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26?,30-,31-,32-/m1/s1
InChIKeyZXBBLGDMKRUAFL-GGDSRLJSSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-Kdo-(2→8)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-D-GlcNAc (CHEBI:60316) is a amino tetrasaccharide (CHEBI:59412)
α-D-Kdo-(2→8)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-D-GlcNAc (CHEBI:60316) is a glucosamine oligosaccharide (CHEBI:22485)
Incoming Relation(s)
α-D-Kdo-(2→8)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc (CHEBI:62640) is a α-D-Kdo-(2→8)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-D-GlcNAc (CHEBI:60316)
IUPAC Name 
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-ulopyranonosyl-(2→6)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
α-Kdo-(2→8)-α-Kdo-(2→4)-α-Kdo-(2→6)-GlcNAcChEBI
Kdoα2-8Kdoα2-8Kdoα2-6GlcNAcChEBI
Citations