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CHEBI:77923 - sodium[α-Kdo-(2→8)-α-Kdo-OAll II1,I7-lactone]

Default Structure
ChEBI IDCHEBI:77923
ChEBI Namesodium[α-Kdo-(2→8)-α-Kdo-OAll II1,I7-lactone]
Stars
ASCII Namesodium[alpha-Kdo-(2->8)-alpha-Kdo-OAll II(1),I(7)-lactone]
DefinitionThe sodium salt of a carbohydrate lactone formed from α-Kdo-(2→8)-α-Kdo-OAll by lactone formation between the carboxy group of the non-reducing α-Kdo residue and O-7 of the α-Kdo-OAll residue.
Last Modified31 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H27O14.Na
Net Charge0
Average Mass502.401
Monoisotopic Mass502.12985
SMILES[H][C@]1([C@H]2CO[C@@]3(C[C@@H](O)[C@@H](O)[C@@]([H])([C@H](O)CO)O3)C(=O)O2)O[C@@](OCC=C)(C(=O)[O-])C[C@@H](O)[C@H]1O.[Na+]
InChIInChI=1S/C19H28O14.Na/c1-2-3-29-18(16(26)27)4-8(21)13(25)15(33-18)11-7-30-19(17(28)31-11)5-9(22)12(24)14(32-19)10(23)6-20;/h2,8-15,20-25H,1,3-7H2,(H,26,27);/q;+1/p-1/t8-,9-,10-,11-,12-,13-,14-,15-,18-,19-;/m1./s1
InChIKeyCMRYYCZEIZHONA-WFFHLMICSA-M
ChEBI Ontology
Outgoing Relation(s)
sodium[α-Kdo-(2→8)-α-Kdo-OAll II1,I7-lactone] (CHEBI:77923) has part α-Kdo-(2→8)-α-Kdo-OAll(1−) II1,I7-lactone (CHEBI:77925)
sodium[α-Kdo-(2→8)-α-Kdo-OAll II1,I7-lactone] (CHEBI:77923) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→8)-(prop-2-en-1-yl 3-deoxy-α-D-manno-oct-2-ulopyranosid)onate II1,I7-lactone
Synonyms  Source
Kdo-(2→8)-Kdo-1.7-lactone allyl glycoside sodium saltChEBI
Na[α-Kdo-(2→8)-α-Kdo-OAll II1,I7-lactone]ChEBI
sodium (2R,4R,5R,6S)-2-(allyloxy)-6-{(3R,6R,8R,9R,10R)-8-[(1R)-1,2-dihydroxyethyl]-9,10-dihydroxy-5-oxo-1,4,7-trioxaspiro[5.5]undec-3-yl}-4,5-dihydroxytetrahydro-2H-pyran-2-carboxylateIUPAC
sodium 3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→8)-(allyl 3-deoxy-α-D-manno-oct-2-ulopyranosid)onate II1,I7-lactoneChEBI
[α-Kdo-(2→8)-α-Kdo-OAll II1,I7-lactone] sodium saltChEBI
Citations