136132-69-9 , Chondroitin disaccharide di-0S sodium salt

136132-69-9 , Chondroitin disaccharide di-0S sodium salt ;
2-Acetamido-2-deoxy-3-O-(b-D-gluco-4-enepyranosyl uronic acid)-D-galactose sodium salt;
GlcAb(1-4)GalNAc;
α-ΔUA-[1→3]-GalNAc,
Cas:136132-69-9
C14H20NNaO11 / 401.30

Chondroitin disaccharide di-0S sodium salt ;

2-Acetamido-2-deoxy-3-O-(b-D-gluco-4-enepyranosyl uronic acid)-D-galactose sodium salt; GlcAb(1-4)GalNAc; α-ΔUA-[1→3]-GalNAc

Chondroitin, a glucosaminoglycan (GAG), is a polysaccharide chain of alternating units of N-acetylgalactosamine (GalNAc) and glucuronic acid (GlcA) that can be sulfated on the either or both GalNAc and GlcA units. Chondroitin and its sulfates are frequently attached to proteins to form proteoglycans.

The structural analysis of chondroitin disaccharide di-0S sodium salt has been done by a bacterial enzyme, which is an enzyme that catalyzes the hydrolysis of glycosidic bonds. The reaction mechanism is spontaneous and the biochemical analysis indicates that the molecule is a glycosidic bond with hemiketal and hydration. The active site residues are found to be water molecule, which help in binding with the substrate to form a hemiketal. Biochemical analysis of this molecule reveals that it is an oligosaccharide with two sugar molecules linked by glycosidic bond.

CAS Number	136132-69-9
Product Name	Chondroitin disaccharide di-0S sodium salt
IUPAC Name	sodium;(3R,4S)-2-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
Molecular Formula	C14H20NNaO11
Molecular Weight	401.3 g/mol
InChI	InChI=1S/C14H21NO11.Na/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22;/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22);/q;+1/p-1/t5-,7+,8+,9+,10-,11+,13?,14?;/m0./s1
InChI Key	KINMCWVHKALKTM-YKBJBWNUSA-M
SMILES	CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C=C(O2)C(=O)[O-])O)O.[Na+]
Canonical SMILES	CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C=C(O2)C(=O)[O-])O)O.[Na+]
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)OC2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)O.[Na+]