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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sodium[α-Kdo1Me-(2→8)-α-Kdo-OAll]
ChEBI ID CHEBI:77937
ChEBI ASCII Name sodium[alpha-Kdo1Me-(2->8)-alpha-Kdo-OAll]
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H31NaO15
Net Charge 0
Average Mass 534.44090
Monoisotopic Mass 534.15606
InChI InChI=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
InChIKey NYBZRTSVCPTLOT-XBYURITPSA-M
SMILES [Na+].COC(=O)[C@]1(C[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)CO)OC[C@@H](O)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O
ChEBI Ontology
Outgoing 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 Sources
Kdo-Me-(2→8)-Kdo allyl glycoside sodium salt ChEBI
methyl (3-deoxy-α-Dmanno-oct-2-ulopyranosyl)onate-(2→8)-sodium (allyl 3-deoxy-α-D-manno-oct-2-ulopyranosid)onate ChEBI
Na[α-Kdo1Me-(2→8)-α-Kdo-OAll] ChEBI
Citation Waiting for Citations Type Source
19665108 PubMed citation Europe PMC
Last Modified
31 March 2014