Glucosamine 6-sulfate
PubChem CID: 72361
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| Compound Synonyms | glucosamine 6-sulfate, Glucosamine 6-O-sulfate, GlcN-6S, Glucosamine 6-sulphate, D-Glucosamine-6-sulphate, Glucosamine 6-O-sulphate, [(2R,3S,4R,5R,6R)-5-amino-3,4,6-trihydroxyoxan-2-yl]methyl hydrogen sulfate, 2-amino-2-deoxy-D-Glucose 6-sulfate, 2-amino-2-Deoxy-D-glucose 6-sulphate, D-Glucosamine-6-O-sulphate, 6-O-Sulfo-beta-D-glucosamine, beta-glucosamine-6-sulfate, beta-D-glucosamine 6-sulfate, beta-D-glucosamine 6-O-sulfate, CHEMBL1162001, SCHEMBL18775379, CHEBI:133343, NS00014993, 2-amino-2-deoxy-6-O-sulfo-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose 6-sulfate, {[(2R,3S,4R,5R,6R)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy}sulfonic acid |
|---|---|
| Topological Polar Surface Area | 168.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 16.0 |
| Description | Glucosamine 6-sulfate is a naturally occurring compound present in many of the body's tissues, and belongs to a class of compounds known as glycosaminoglycans (GAGs). Glucosamine 6-sulfate is being used in the treatment of arthritis. Glucosamine for arthritis products is usually formulated as the hydrochloride salt or glucosamine sulfate and often combined with chondroitin sulphate. It is notable that while both the hydrochloride salt and glucosamine sulfate are used in pharmaceutical preparations, glucosamine sulfate is thought to have a higher biological activity due to the presence of the sulfate. It should also be noted that there is a large cost difference between the two salts, with the hydrochloride salt being significantly less expensive. (PMID: 15925239) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(2R,3S,4R,5R,6R)-5-amino-3,4,6-trihydroxyoxan-2-yl]methyl hydrogen sulfate |
| Prediction Hob | 0.0 |
| Xlogp | -6.1 |
| Molecular Formula | C6H13NO8S |
| Prediction Swissadme | 0.0 |
| Inchi Key | MTDHILKWIRSIHB-QZABAPFNSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | 2-amino-2-deoxy-D-Glucose 6-sulfate, 2-amino-2-Deoxy-D-glucose 6-sulphate, D-Glucosamine-6-sulfate, D-Glucosamine-6-sulphate, Glucosamine 6-O-sulfate, Glucosamine 6-O-sulphate, Glucosamine 6-sulfate, Glucosamine 6-sulfic acid, Glucosamine 6-sulphate |
| Compound Name | Glucosamine 6-sulfate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 259.036 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 259.036 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 259.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.5685368 |
| Inchi | InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13)/t2-,3-,4-,5-,6-/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OS(=O)(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients