alpha-Kdo1Me-(2->8)-alpha-Kdo-OAll (CHEBI:77958)

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CHEBI:77958 - α-Kdo1Me-(2→8)-α-Kdo-OAll

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ChEBI ID	CHEBI:77958
ChEBI Name	α-Kdo1Me-(2→8)-α-Kdo-OAll
Stars
ASCII Name	alpha-Kdo1Me-(2->8)-alpha-Kdo-OAll
Definition	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 Modified	6 March 2015
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C20H32O15
Net Charge	0
Average Mass	512.461
Monoisotopic Mass	512.17412
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
InChI	InChI=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)/t9-,10-,11-,12-,13-,14-,15-,16-,19-,20-/m1/s1
InChIKey	LLIXJTAYHKDPLM-GSLZCSFCSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	α-Kdo1Me-(2→8)-α-Kdo-OAll (CHEBI:77958) is a dicarboxylic acid monoester (CHEBI:36244)
	α-Kdo1Me-(2→8)-α-Kdo-OAll (CHEBI:77958) is a disaccharide derivative (CHEBI:63353)
	α-Kdo1Me-(2→8)-α-Kdo-OAll (CHEBI:77958) is a glycoside (CHEBI:24400)
	α-Kdo1Me-(2→8)-α-Kdo-OAll (CHEBI:77958) is a methyl ester (CHEBI:25248)
	α-Kdo1Me-(2→8)-α-Kdo-OAll (CHEBI:77958) is conjugate acid of α-Kdo1Me-(2→8)-α-Kdo-OAll(1−) (CHEBI:77959)
Incoming Relation(s)
Incoming Relation(s)	α-Kdo1Me-(2→8)-α-Kdo-OAll(1−) (CHEBI:77959) is conjugate base of α-Kdo1Me-(2→8)-α-Kdo-OAll (CHEBI:77958)

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)onic acid

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-ulopyranosidonic acid	IUPAC
2-propen-1-yl 3-deoxy-8-O-(3-deoxy-1-methyl-α-D-manno-2-octulopyranosonosyl)-α-D-manno-2-octulopyranosidonic acid	ChEBI
Kdo-Me-(2→8)-Kdo allyl glycoside	ChEBI

Registry Numbers	Sources
Reaxys:19681946	Reaxys
CAS:1192747-37-7	Reaxys

Citations