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CHEBI:77959 - α-Kdo1Me-(2→8)-α-Kdo-OAll(1−)

ChEBI IDCHEBI:77959
ChEBI Nameα-Kdo1Me-(2→8)-α-Kdo-OAll(1−)
Stars
ASCII Namealpha-Kdo1Me-(2->8)-alpha-Kdo-OAll(1-)
DefinitionThe carbohydrate acid derivative anion formed by proton loss from the free carboxy group of α-Kdo1Me-(2→8)-α-Kdo-OAll
Last Modified31 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H31O15
Net Charge-1
Average Mass511.453
Monoisotopic Mass511.16684
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
InChIInChI=1S/C20H32O15/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)/p-1/t9-,10-,11-,12-,13-,14-,15-,16-,19-,20-/m1/s1
InChIKeyLLIXJTAYHKDPLM-GSLZCSFCSA-M
ChEBI Ontology
Outgoing Relation(s)
α-Kdo1Me-(2→8)-α-Kdo-OAll(1−) (CHEBI:77959) is a carbohydrate acid derivative anion (CHEBI:63551)
α-Kdo1Me-(2→8)-α-Kdo-OAll(1−) (CHEBI:77959) is conjugate base of α-Kdo1Me-(2→8)-α-Kdo-OAll (CHEBI:77958)
Incoming Relation(s)
sodium[α-Kdo1Me-(2→8)-α-Kdo-OAll] (CHEBI:77937) has part α-Kdo1Me-(2→8)-α-Kdo-OAll(1−) (CHEBI:77959)
α-Kdo1Me-(2→8)-α-Kdo-OAll (CHEBI:77958) is conjugate acid of α-Kdo1Me-(2→8)-α-Kdo-OAll(1−) (CHEBI:77959)
IUPAC Name 
(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
allyl (6R)-3-deoxy-6-[(1R)-2-({(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-1-methyl-β-L-erythro-hex-2-ulopyranonosyl}oxy)-1-hydroxyethyl]-β-L-erythro-hex-2-ulopyranosidonateIUPAC
α-Kdo1Me-(2→8)-α-Kdo-OAll anionChEBI
Citations