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sodium N-acetyl-beta-D-galactosaminyl-(1->6)-[6-O-sulfonato-beta-D-glucosyl-(1->3)]-N-acetyl-beta-D-galactosamine

Properties

Image

Occurences in reactions

MNX_ID

MNXM161184

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₂H₃₇N₂NaO₁₉S

charge

mass

688.16089

reference

chebi:61045

InChIKey

BZKDTXZLXUULRO-GDZJUOCTSA-M

InChI

InChI=1S/C22H38N2O19S.Na/c1-6(26)23-11-16(31)13(28)8(3-25)41-21(11)38-4-9-15(30)19(12(20(34)40-9)24-7(2)27)43-22-18(33)17(32)14(29)10(42-22)5-39-44(35,36)37;/h8-22,25,28-34H,3-5H2,1-2H3,(H,23,26)(H,24,27)(H,35,36,37);/q;+1/p-1/t8-,9-,10-,11-,12-,13+,14-,15+,16-,17+,18-,19-,20-,21-,22+;/m1./s1

SMILES

CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O.[Na+]

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:61045 chebi:61045	sodium N-acetyl-beta-D-galactosaminyl-(1->6)-[6-O-sulfonato-beta-D-glucosyl-(1->3)]-N-acetyl-beta-D-galactosamine Na beta-D-GalNAc-(1->6)-[6-O-O3S-beta-D-Glc-(1->3)]-beta-D-GalNAc Na beta-D-GalpNAc-(1->6)-[6-O-O3S-beta-D-Glcp-(1->3)]-beta-D-GalpNAc sodium 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->6)-[6-O-sulfonato-beta-D-glucopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-galactopyranose sodium 2-acetamido-2-deoxy-beta-D-galactosyl-(1->6)-[6-O-sulfonato-beta-D-glucosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-galactose