MetaCyc Compound: N-acetyl-D-galactosamine 6-O-sulfate

Synonyms: N-acetyl-D-galactosamine 6-sulfate

Superclasses: an organosulfur compoundan organosulfate

Chemical Formula: C8H14NO9S

Molecular Weight: 300.26 Daltons

Monoisotopic Molecular Weight: 301.0467517756 Daltons

<i>N</i>-acetyl-D-galactosamine 6-<i>O</i>-sulfate compound structure

SMILES: CC(=O)NC1(C(O)OC(COS(=O)(=O)[O-])C(O)C(O)1)

InChI: InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/p-1/t4-,5-,6+,7-,8?/m1/s1


Unification Links: ChEBI:63270, PubChem:91820057

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -149.2464Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

chondroitin sulfate degradation I (bacterial) :
4-deoxy-β-D-gluc-4-enuronosyl-(1,3)-N-acetyl--D-galactosamine 6-sulfate + H2O → 4-deoxy-L-threo-hex-4-enopyranuronate + N-acetyl-D-galactosamine 6-O-sulfate

Not in pathways:
4-deoxy-β-D-gluc-4-enuronosyl-(1,4)-N-acetyl--D-galactosamine 6-sulfate + H2O → 4-deoxy-L-threo-hex-4-enopyranuronate + N-acetyl-D-galactosamine 6-O-sulfate

In Reactions of unknown directionality:

Not in pathways:
an alcohol + 3'-phosphoadenylyl-sulfate = adenosine 3',5'-bisphosphate + an organosulfate + H+

Created 06-Aug-2010 by Caspi R, SRI International


Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 19.5 on Sun Nov 29, 2015, BIOCYC13B.