EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:77937 - sodium[α-Kdo1Me-(2→8)-α-Kdo-OAll]

ChEBI IDCHEBI:77937
ChEBI Namesodium[α-Kdo1Me-(2→8)-α-Kdo-OAll]
Stars
ASCII Namesodium[alpha-Kdo1Me-(2->8)-alpha-Kdo-OAll]
DefinitionThe sodium salt of α-Kdo1Me-(2→8)-α-Kdo-OAll, a disaccharide derivative consisting of two 3-deoxy-α-D-manno-oct-2-ulopyranonosyl units joined via an α-(2→8)-linkage with an O-allyl group at the anomeric centre and with the carboxy group of the residue at the non-reducing end methyl-esterified.
Last Modified31 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H31O15.Na
Net Charge0
Average Mass534.443
Monoisotopic Mass534.15606
SMILES[H][C@]1([C@H](O)CO[C@]2(C(=O)OC)C[C@@H](O)[C@@H](O)[C@@]([H])([C@H](O)CO)O2)O[C@@](OCC=C)(C(=O)[O-])C[C@@H](O)[C@H]1O.[Na+]
InChIInChI=1S/C20H32O15.Na/c1-3-4-32-19(17(28)29)5-9(22)14(27)16(34-19)12(25)8-33-20(18(30)31-2)6-10(23)13(26)15(35-20)11(24)7-21;/h3,9-16,21-27H,1,4-8H2,2H3,(H,28,29);/q;+1/p-1/t9-,10-,11-,12-,13-,14-,15-,16-,19-,20-;/m1./s1
InChIKeyNYBZRTSVCPTLOT-XBYURITPSA-M
ChEBI Ontology
Outgoing Relation(s)
sodium[α-Kdo1Me-(2→8)-α-Kdo-OAll] (CHEBI:77937) has part α-Kdo1Me-(2→8)-α-Kdo-OAll(1−) (CHEBI:77959)
sodium[α-Kdo1Me-(2→8)-α-Kdo-OAll] (CHEBI:77937) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium (methyl 3-deoxy-α-D-manno-oct-2-ulopyranonosid)yl-(2→8)-(prop-2-en-1-yl 3-deoxy-α-D-manno-oct-2-ulopyranosid)onate
Synonyms  Source
methyl (3-deoxy-α-Dmanno-oct-2-ulopyranosyl)onate-(2→8)-sodium (allyl 3-deoxy-α-D-manno-oct-2-ulopyranosid)onateChEBI
Na[α-Kdo1Me-(2→8)-α-Kdo-OAll]ChEBI
Kdo-Me-(2→8)-Kdo allyl glycoside sodium saltChEBI
Citations