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Escherichia coli K-12 substr. MG1655 Compound Class: chondroitin sulfate disaccharide

Synonyms: GlcA-GalNAC-4S

Superclasses: all carbohydrates a carbohydrate a glycan an oligosaccharide a disaccharide
an organosulfur compound an organosulfate

Summary:
The structure depicted here is that of the most common repeating disaccharide unit found in chondroitin sulfate, with both the hexose and the hexuronic acid in their sulfated form.

Chemical Formula: C14H21NO18S2

Child Classes: [chondroitin]-4-O-sulfo-N-acetylgalactosamine (0) , [chondroitin]-6-O-sulfo-N-acetylgalactosamine (0)

Molecular Weight: 555.44 Daltons

Monoisotopic Molecular Weight: 557.0356543213001 Daltons

SMILES: CC(=O)NC2(C(O)OC(CO)C(OS(=O)(=O)[O-])C(OC1(OC(C(O)=O)C(O)C(O)C(OS(=O)(=O)[O-])1))2)

InChI: InChI=1S/C14H23NO18S2/c1-3(17)15-5-9(8(32-34(23,24)25)4(2-16)29-13(5)22)30-14-11(33-35(26,27)28)7(19)6(18)10(31-14)12(20)21/h4-11,13-14,16,18-19,22H,2H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)(H,26,27,28)/p-2/t4-,5-,6+,7+,8+,9-,10+,11-,13-,14-/m1/s1

Credits:
Created 10-Aug-2010 by Caspi R , SRI International


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of EcoCyc: Nucleic Acids Research 41:D605-12 2013
Page generated by SRI International Pathway Tools version 18.5 on Sat Dec 20, 2014, BIOCYC13B.