Metabolic Modeling Tutorial
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BioCyc websites down
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
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MetaCyc Compound: N-acetyl-β-D-galactosamine 6-O-sulfate

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

Superclasses: an organosulfur compound an organosulfate

Chemical Formula: C8H14NO9S

Molecular Weight: 300.26 Daltons

Monoisotopic Molecular Weight: 301.0467517756 Daltons

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

InChIKey: InChIKey=WJFVEEAIYIOATH-JAJWTYFOSA-M

Unification Links: ChEBI:63270 , PubChem:54758613

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

Reactions known to produce the compound:

chondroitin sulfate and dermatan sulfate degradation I (bacterial) :
β-D-4-deoxy-gluc-4-enuronosyl-(1,3)-N-acetyl-β-D-galactosamine 6-sulfate + H2O → 5-dehydro-4-deoxy-D-glucuronate + N-acetyl-β-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+

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


References

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 18.5 on Sun Dec 21, 2014, BIOCYC13B.