Aldotetrauronic-acid

XUX produced by GH30 xylanase BoGH30 digestion of beech xylan (Sigma-Aldrich)

General

Type : Glucuronoyl

Chemical_Nomenclature : (2S,3S,4R,5R,6S)-6-[(2R,3S,4R)-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-1-oxopentan-2-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid

Canonical SMILES : COC1C(C(C(OC1C(=O)O)OC(C=O)C(C(CO)OC2C(C(C(CO2)OC3C(C(C(CO3)O)O)O)O)O)O)O)O

InChI : InChI=1S\/C22H36O19\/c1-35-17-13(29)16(32)22(41-18(17)19(33)34)39-8(3-24)11(27)7(2-23)38-21-15(31)12(28)9(5-37-21)40-20-14(30)10(26)6(25)4-36-20\/h3,6-18,20-23,25-32H,2,4-5H2,1H3,(H,33,34)\/t6-,7-,8+,9-,10+,11+,12+,13-,14-,15-,16-,17+,18+,20-,21-,22+\/m1\/s1

InChIKey : BXWKSMMBESGSRP-YKMZFYLKSA-N

Other name(s) : Aldotetrauronic acid,XUX


MW : 604.5

Formula : C22H36O19

CAS_number :

PubChem : 102302252

UniChem : BXWKSMMBESGSRP-YKMZFYLKSA-N

IUPHAR :

Wikipedia :

Target

Families : Aldotetrauronic-acid ligand of proteins in family: Glucuronoyl_esterase

Stucture : 6T0I The wild type glucuronoyl esterase OtCE15A from Opitutus terrae in complex with the aldotetrauronic acid XUX

Protein : opitp-b1zmf4

References (1)

Title : Structural and biochemical studies of the glucuronoyl esterase OtCE15A illuminate its interaction with lignocellulosic components - Mazurkewich_2019_J.Biol.Chem_294_19978
Author(s) : Mazurkewich S , Poulsen JN , Lo Leggio L , Larsbrink J
Ref : Journal of Biological Chemistry , 294 :19978 , 2019
Abstract : Mazurkewich_2019_J.Biol.Chem_294_19978
ESTHER : Mazurkewich_2019_J.Biol.Chem_294_19978
PubMedSearch : Mazurkewich_2019_J.Biol.Chem_294_19978
PubMedID: 31740581
Gene_locus related to this paper: opitp-b1zmf4