CHEBI:62640 - α-D-Kdo-(2→8)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-D-Kdo-(2→8)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc
ChEBI ID CHEBI:62640
ChEBI ASCII Name alpha-D-Kdo-(2->8)-alpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->6)-beta-D-GlcNAc
Definition A tetrasaccharide composed of three α-D-Kdo residues and one acetylated β-glucosamine residue (at the reducing end). It is a partial structure of chlamydial lipopolysaccharide (LPS).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C32H51NO27
Net Charge 0
Average Mass 881.73780
Monoisotopic Mass 881.26485
InChI InChI=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
InChIKey ZXBBLGDMKRUAFL-HAACUUTCSA-N
SMILES [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(OC[C@@H](O)[C@@]1([H])O[C@@](C[C@@H](O)[C@H]1O)(O[C@@H]1C[C@@](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O)(O[C@]([H])([C@H](O)CO)[C@@H]1O)C(O)=O)C(O)=O)C(O)=O)[C@H](O)CO
ChEBI Ontology
Outgoing 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)
α-D-Kdo-(2→8)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc (CHEBI:62640) is a glucosamine oligosaccharide (CHEBI:22485)
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-β-D-glucopyranose
Synonym Source
α-Kdo-(2→8)-α-Kdo-(2→4)-α-Kdo-(2→6)-β-GlcNAc ChEBI
Citations Waiting for Citations Types Sources
1372290 PubMed citation Europe PMC
21405106 PubMed citation Europe PMC
Last Modified
20 May 2020