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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:18:10 UTC
HMDB IDHMDB0000592
Secondary Accession Numbers
  • HMDB00592
Metabolite Identification
Common NameGlucosamine 6-sulfate
DescriptionGlucosamine 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 ).
Structure
Data?1582752142
Synonyms
ValueSource
2-Amino-2-deoxy-beta-D-glucopyranose 6-sulfateChEBI
2-Amino-2-deoxy-D-glucose 6-sulfateChEBI
2-Amino-2-deoxy-D-glucose 6-sulphateChEBI
6-O-SulfO-beta-D-glucosamineChEBI
beta-D-Glucosamine 6-O-sulfateChEBI
D-Glucosamine-6-sulfateChEBI
D-Glucosamine-6-sulphateChEBI
GLCN-6SChEBI
Glucosamine 6-O-sulfateChEBI
Glucosamine 6-O-sulphateChEBI
Glucosamine 6-sulphateChEBI
2-Amino-2-deoxy-b-D-glucopyranose 6-sulfateGenerator
2-Amino-2-deoxy-b-D-glucopyranose 6-sulfuric acidGenerator
2-Amino-2-deoxy-b-D-glucopyranose 6-sulphateGenerator
2-Amino-2-deoxy-b-D-glucopyranose 6-sulphuric acidGenerator
2-Amino-2-deoxy-beta-D-glucopyranose 6-sulfuric acidGenerator
2-Amino-2-deoxy-beta-D-glucopyranose 6-sulphateGenerator
2-Amino-2-deoxy-beta-D-glucopyranose 6-sulphuric acidGenerator
2-Amino-2-deoxy-β-D-glucopyranose 6-sulfateGenerator
2-Amino-2-deoxy-β-D-glucopyranose 6-sulfuric acidGenerator
2-Amino-2-deoxy-β-D-glucopyranose 6-sulphateGenerator
2-Amino-2-deoxy-β-D-glucopyranose 6-sulphuric acidGenerator
2-Amino-2-deoxy-D-glucose 6-sulfuric acidGenerator
2-Amino-2-deoxy-D-glucose 6-sulphuric acidGenerator
6-O-SulfO-b-D-glucosamineGenerator
6-O-SulfO-β-D-glucosamineGenerator
6-O-SulphO-b-D-glucosamineGenerator
6-O-SulphO-beta-D-glucosamineGenerator
6-O-SulphO-β-D-glucosamineGenerator
b-D-Glucosamine 6-O-sulfateGenerator
b-D-Glucosamine 6-O-sulfuric acidGenerator
b-D-Glucosamine 6-O-sulphateGenerator
b-D-Glucosamine 6-O-sulphuric acidGenerator
beta-D-Glucosamine 6-O-sulfuric acidGenerator
beta-D-Glucosamine 6-O-sulphateGenerator
beta-D-Glucosamine 6-O-sulphuric acidGenerator
Β-D-glucosamine 6-O-sulfateGenerator
Β-D-glucosamine 6-O-sulfuric acidGenerator
Β-D-glucosamine 6-O-sulphateGenerator
Β-D-glucosamine 6-O-sulphuric acidGenerator
D-Glucosamine-6-sulfuric acidGenerator
D-Glucosamine-6-sulphuric acidGenerator
Glucosamine 6-O-sulfuric acidGenerator
Glucosamine 6-O-sulphuric acidGenerator
Glucosamine 6-sulfuric acidGenerator
Glucosamine 6-sulphuric acidGenerator
b-D-Glucosamine 6-sulfateHMDB
b-D-Glucosamine 6-sulfuric acidHMDB
b-D-Glucosamine 6-sulphateHMDB
b-D-Glucosamine 6-sulphuric acidHMDB
beta-D-Glucosamine 6-sulfuric acidHMDB
beta-D-Glucosamine 6-sulphateHMDB
beta-D-Glucosamine 6-sulphuric acidHMDB
Β-D-glucosamine 6-sulfateHMDB
Β-D-glucosamine 6-sulfuric acidHMDB
Β-D-glucosamine 6-sulphateHMDB
Β-D-glucosamine 6-sulphuric acidHMDB
Glucosamine 6-sulfateGenerator
Chemical FormulaC6H13NO8S
Average Molecular Weight259.234
Monoisotopic Molecular Weight259.036187087
IUPAC Name{[(2R,3S,4R,5R,6R)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy}sulfonic acid
Traditional Nameglucosamine 6-sulfate
CAS Registry Number91674-26-9
SMILES
N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O
InChI Identifier
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
InChI KeyMTDHILKWIRSIHB-QZABAPFNSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexoses
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Monosaccharide sulfate
  • Amino saccharide
  • Oxane
  • Sulfuric acid monoester
  • Sulfate-ester
  • Alkyl sulfate
  • Sulfuric acid ester
  • Organic sulfuric acid or derivatives
  • Hemiacetal
  • 1,2-diol
  • Secondary alcohol
  • 1,2-aminoalcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Primary amine
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Alcohol
  • Amine
  • Organopnictogen compound
  • Organic oxide
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility129 g/LALOGPS
logP10(-2.3) g/LALOGPS
logP10(-4) g/LChemAxon
logS10(-0.3) g/LALOGPS
pKa (Strongest Acidic)-1.9ChemAxon
pKa (Strongest Basic)8.23ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area159.54 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity47.57 m³·mol⁻¹ChemAxon
Polarizability22.38 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+153.81731661259
DarkChem[M-H]-149.53931661259
AllCCS[M+H]+156.25332859911
AllCCS[M-H]-146.71332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Glucosamine 6-sulfateN[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O3626.2Standard polar33892256
Glucosamine 6-sulfateN[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O2151.7Standard non polar33892256
Glucosamine 6-sulfateN[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O2291.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glucosamine 6-sulfate,1TMS,isomer #1C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1N2219.3Semi standard non polar33892256
Glucosamine 6-sulfate,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O)[C@H](N)[C@H]1O2213.9Semi standard non polar33892256
Glucosamine 6-sulfate,1TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)O[C@H](COS(=O)(=O)O)[C@H]1O2212.6Semi standard non polar33892256
Glucosamine 6-sulfate,1TMS,isomer #4C[Si](C)(C)OS(=O)(=O)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O)[C@@H]1O2305.8Semi standard non polar33892256
Glucosamine 6-sulfate,1TMS,isomer #5C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O2272.1Semi standard non polar33892256
Glucosamine 6-sulfate,2TMS,isomer #1C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1N2218.2Semi standard non polar33892256
Glucosamine 6-sulfate,2TMS,isomer #10C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O2334.7Semi standard non polar33892256
Glucosamine 6-sulfate,2TMS,isomer #11C[Si](C)(C)N([C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O)[Si](C)(C)C2376.1Semi standard non polar33892256
Glucosamine 6-sulfate,2TMS,isomer #2C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N2219.4Semi standard non polar33892256
Glucosamine 6-sulfate,2TMS,isomer #3C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1N2297.2Semi standard non polar33892256
Glucosamine 6-sulfate,2TMS,isomer #4C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O2239.0Semi standard non polar33892256
Glucosamine 6-sulfate,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O)[C@H](N)[C@H]1O[Si](C)(C)C2221.6Semi standard non polar33892256
Glucosamine 6-sulfate,2TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C)O[C@@H](O)[C@H](N)[C@H]1O2319.0Semi standard non polar33892256
Glucosamine 6-sulfate,2TMS,isomer #7C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O2256.0Semi standard non polar33892256
Glucosamine 6-sulfate,2TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@H]1O2310.9Semi standard non polar33892256
Glucosamine 6-sulfate,2TMS,isomer #9C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C2246.3Semi standard non polar33892256
Glucosamine 6-sulfate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N2255.2Semi standard non polar33892256
Glucosamine 6-sulfate,3TMS,isomer #10C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O2330.4Semi standard non polar33892256
Glucosamine 6-sulfate,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O2383.8Semi standard non polar33892256
Glucosamine 6-sulfate,3TMS,isomer #12C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C2331.3Semi standard non polar33892256
Glucosamine 6-sulfate,3TMS,isomer #13C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COS(=O)(=O)O)O[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C2383.0Semi standard non polar33892256
Glucosamine 6-sulfate,3TMS,isomer #14C[Si](C)(C)OS(=O)(=O)OC[C@H]1O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O2457.5Semi standard non polar33892256
Glucosamine 6-sulfate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1N2280.5Semi standard non polar33892256
Glucosamine 6-sulfate,3TMS,isomer #3C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O2267.3Semi standard non polar33892256
Glucosamine 6-sulfate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N2311.5Semi standard non polar33892256
Glucosamine 6-sulfate,3TMS,isomer #5C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C2278.8Semi standard non polar33892256
Glucosamine 6-sulfate,3TMS,isomer #6C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O2296.9Semi standard non polar33892256
Glucosamine 6-sulfate,3TMS,isomer #7C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C)[Si](C)(C)C2371.4Semi standard non polar33892256
Glucosamine 6-sulfate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C)O[C@@H](O)[C@H](N)[C@H]1O[Si](C)(C)C2298.9Semi standard non polar33892256
Glucosamine 6-sulfate,3TMS,isomer #9C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2273.9Semi standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #1C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N2319.9Semi standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #1C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N2761.1Standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #1C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N3466.1Standard polar33892256
Glucosamine 6-sulfate,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C)O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O2447.7Semi standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C)O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O2832.2Standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C)O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O3054.8Standard polar33892256
Glucosamine 6-sulfate,4TMS,isomer #11C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COS(=O)(=O)O[Si](C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C2446.8Semi standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #11C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COS(=O)(=O)O[Si](C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C2835.4Standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #11C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COS(=O)(=O)O[Si](C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C3074.9Standard polar33892256
Glucosamine 6-sulfate,4TMS,isomer #2C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2314.7Semi standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #2C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2808.6Standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #2C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3114.8Standard polar33892256
Glucosamine 6-sulfate,4TMS,isomer #3C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O2340.1Semi standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #3C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O2763.0Standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #3C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3046.8Standard polar33892256
Glucosamine 6-sulfate,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O2400.1Semi standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O2871.0Standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O3149.6Standard polar33892256
Glucosamine 6-sulfate,4TMS,isomer #5C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C2366.5Semi standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #5C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C2786.2Standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #5C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C2996.2Standard polar33892256
Glucosamine 6-sulfate,4TMS,isomer #6C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C2403.3Semi standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #6C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C2871.4Standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #6C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C3168.6Standard polar33892256
Glucosamine 6-sulfate,4TMS,isomer #7C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C)[Si](C)(C)C2426.4Semi standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #7C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C)[Si](C)(C)C2830.3Standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #7C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C)[Si](C)(C)C3136.0Standard polar33892256
Glucosamine 6-sulfate,4TMS,isomer #8C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2344.3Semi standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #8C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2774.7Standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #8C[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3039.8Standard polar33892256
Glucosamine 6-sulfate,4TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2412.8Semi standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2873.2Standard non polar33892256
Glucosamine 6-sulfate,4TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C3152.9Standard polar33892256
Glucosamine 6-sulfate,5TMS,isomer #1C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2366.7Semi standard non polar33892256
Glucosamine 6-sulfate,5TMS,isomer #1C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2922.7Standard non polar33892256
Glucosamine 6-sulfate,5TMS,isomer #1C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2825.1Standard polar33892256
Glucosamine 6-sulfate,5TMS,isomer #2C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C2436.0Semi standard non polar33892256
Glucosamine 6-sulfate,5TMS,isomer #2C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C2982.3Standard non polar33892256
Glucosamine 6-sulfate,5TMS,isomer #2C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C2873.3Standard polar33892256
Glucosamine 6-sulfate,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O2450.0Semi standard non polar33892256
Glucosamine 6-sulfate,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O2979.8Standard non polar33892256
Glucosamine 6-sulfate,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O2856.4Standard polar33892256
Glucosamine 6-sulfate,5TMS,isomer #4C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C2464.8Semi standard non polar33892256
Glucosamine 6-sulfate,5TMS,isomer #4C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C2987.1Standard non polar33892256
Glucosamine 6-sulfate,5TMS,isomer #4C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C2880.0Standard polar33892256
Glucosamine 6-sulfate,5TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C)O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2468.9Semi standard non polar33892256
Glucosamine 6-sulfate,5TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C)O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2981.0Standard non polar33892256
Glucosamine 6-sulfate,5TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C)O[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C2862.4Standard polar33892256
Glucosamine 6-sulfate,6TMS,isomer #1C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C2491.0Semi standard non polar33892256
Glucosamine 6-sulfate,6TMS,isomer #1C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C3096.9Standard non polar33892256
Glucosamine 6-sulfate,6TMS,isomer #1C[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C2731.4Standard polar33892256
Glucosamine 6-sulfate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1N2475.4Semi standard non polar33892256
Glucosamine 6-sulfate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O)[C@H](N)[C@H]1O2484.8Semi standard non polar33892256
Glucosamine 6-sulfate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)O[C@H](COS(=O)(=O)O)[C@H]1O2490.5Semi standard non polar33892256
Glucosamine 6-sulfate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OS(=O)(=O)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O)[C@@H]1O2570.2Semi standard non polar33892256
Glucosamine 6-sulfate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O2539.4Semi standard non polar33892256
Glucosamine 6-sulfate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1N2672.5Semi standard non polar33892256
Glucosamine 6-sulfate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2817.8Semi standard non polar33892256
Glucosamine 6-sulfate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N([C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C2884.4Semi standard non polar33892256
Glucosamine 6-sulfate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N2683.6Semi standard non polar33892256
Glucosamine 6-sulfate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1N2739.1Semi standard non polar33892256
Glucosamine 6-sulfate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O2691.4Semi standard non polar33892256
Glucosamine 6-sulfate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O)[C@H](N)[C@H]1O[Si](C)(C)C(C)(C)C2690.3Semi standard non polar33892256
Glucosamine 6-sulfate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](N)[C@H]1O2753.3Semi standard non polar33892256
Glucosamine 6-sulfate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2721.8Semi standard non polar33892256
Glucosamine 6-sulfate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@H]1O2768.3Semi standard non polar33892256
Glucosamine 6-sulfate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2716.0Semi standard non polar33892256
Glucosamine 6-sulfate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N2917.1Semi standard non polar33892256
Glucosamine 6-sulfate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3009.3Semi standard non polar33892256
Glucosamine 6-sulfate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O3040.1Semi standard non polar33892256
Glucosamine 6-sulfate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3011.6Semi standard non polar33892256
Glucosamine 6-sulfate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COS(=O)(=O)O)O[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3055.0Semi standard non polar33892256
Glucosamine 6-sulfate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OS(=O)(=O)OC[C@H]1O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O3118.8Semi standard non polar33892256
Glucosamine 6-sulfate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1N2938.7Semi standard non polar33892256
Glucosamine 6-sulfate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2929.9Semi standard non polar33892256
Glucosamine 6-sulfate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N2939.7Semi standard non polar33892256
Glucosamine 6-sulfate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2940.1Semi standard non polar33892256
Glucosamine 6-sulfate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2988.6Semi standard non polar33892256
Glucosamine 6-sulfate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3034.7Semi standard non polar33892256
Glucosamine 6-sulfate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](N)[C@H]1O[Si](C)(C)C(C)(C)C2950.5Semi standard non polar33892256
Glucosamine 6-sulfate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2935.6Semi standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N3152.2Semi standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N3870.8Standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N3589.3Standard polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O3288.4Semi standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O3932.0Standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O3268.4Standard polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3286.6Semi standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3931.7Standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3289.3Standard polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3166.7Semi standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3864.5Standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3347.2Standard polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3190.1Semi standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3884.5Standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3297.6Standard polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O3257.5Semi standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O3897.1Standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O3330.7Standard polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3203.9Semi standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3900.4Standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3274.0Standard polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3259.2Semi standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3904.0Standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3352.1Standard polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3262.9Semi standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3921.1Standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3333.8Standard polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3195.1Semi standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3894.3Standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3293.0Standard polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3267.0Semi standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3903.1Standard non polar33892256
Glucosamine 6-sulfate,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O)O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3338.5Standard polar33892256
Glucosamine 6-sulfate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3395.4Semi standard non polar33892256
Glucosamine 6-sulfate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4263.7Standard non polar33892256
Glucosamine 6-sulfate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3213.6Standard polar33892256
Glucosamine 6-sulfate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3502.3Semi standard non polar33892256
Glucosamine 6-sulfate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4196.2Standard non polar33892256
Glucosamine 6-sulfate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3232.8Standard polar33892256
Glucosamine 6-sulfate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O3495.1Semi standard non polar33892256
Glucosamine 6-sulfate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O4292.8Standard non polar33892256
Glucosamine 6-sulfate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O3193.8Standard polar33892256
Glucosamine 6-sulfate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3502.3Semi standard non polar33892256
Glucosamine 6-sulfate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4302.4Standard non polar33892256
Glucosamine 6-sulfate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3220.3Standard polar33892256
Glucosamine 6-sulfate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3503.7Semi standard non polar33892256
Glucosamine 6-sulfate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4297.7Standard non polar33892256
Glucosamine 6-sulfate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3202.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (Non-derivatized) - 70eV, Positivesplash10-004u-9730000000-70576e4f34730bd11b362017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (3 TMS) - 70eV, Positivesplash10-0h2r-7986600000-5b5175e6891f55edf0682017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucosamine 6-sulfate GC-MS (TMS_3_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Glucosamine 6-sulfate Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-01ox-6970000000-009d2ce27a1136ae62992012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glucosamine 6-sulfate Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-00lr-9400000000-8aa8e83725fd2209af682012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glucosamine 6-sulfate Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-0gz0-3900000000-2fc5556359b0a81414a02012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glucosamine 6-sulfate , positive-QTOFsplash10-03l3-9730000000-18899d8301ceb9f277a52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glucosamine 6-sulfate 40V, Positive-QTOFsplash10-01vo-9000000000-f6d3abd918ff1f2825422021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glucosamine 6-sulfate 40V, Negative-QTOFsplash10-0002-9200000000-d6e4a53d78b7aeb01f632021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glucosamine 6-sulfate 20V, Positive-QTOFsplash10-0229-9200000000-dae70870d5a8ff4487d72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glucosamine 6-sulfate 10V, Positive-QTOFsplash10-01ox-4690000000-39e1a100bf62422031562021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glucosamine 6-sulfate 35V, Positive-QTOFsplash10-03l3-9730000000-015caba1d680f2a331f02021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glucosamine 6-sulfate 20V, Positive-QTOFsplash10-0230-9200000000-856d105b38cc83c2d9162021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glucosamine 6-sulfate 40V, Positive-QTOFsplash10-006x-9000000000-ee43794c6edbd6c968602021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glucosamine 6-sulfate 10V, Positive-QTOFsplash10-0006-4490000000-cc9089e44d1b4d9eb4472021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glucosamine 6-sulfate 10V, Negative-QTOFsplash10-0a4i-0390000000-81e2f32b467d86796fcd2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glucosamine 6-sulfate 20V, Negative-QTOFsplash10-0002-3910000000-7eba3117f55467e8f5502021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucosamine 6-sulfate 10V, Positive-QTOFsplash10-03dl-0190000000-39f760bc9dbc41c02a702017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucosamine 6-sulfate 20V, Positive-QTOFsplash10-03dj-7930000000-4464d045ff43e6cc091c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucosamine 6-sulfate 40V, Positive-QTOFsplash10-0c0r-9400000000-33a1a2d302a56e55d1b62017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucosamine 6-sulfate 10V, Negative-QTOFsplash10-066r-2950000000-6d9cab81302970f1e2192017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucosamine 6-sulfate 20V, Negative-QTOFsplash10-03la-6940000000-c181e63cb661eaf9a55e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucosamine 6-sulfate 40V, Negative-QTOFsplash10-052f-9100000000-01102593189e8bacc7e72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucosamine 6-sulfate 10V, Positive-QTOFsplash10-0006-0190000000-549c6b338079dc20e0872021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucosamine 6-sulfate 20V, Positive-QTOFsplash10-00dl-9200000000-1ed446aec03069aacf4b2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucosamine 6-sulfate 40V, Positive-QTOFsplash10-01vo-9100000000-26a23911c4053ac8c9dc2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucosamine 6-sulfate 10V, Negative-QTOFsplash10-0a4j-1690000000-8ee96cfc324aa66678022021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucosamine 6-sulfate 20V, Negative-QTOFsplash10-0002-9330000000-7b55e68c175be9b010bf2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022132
KNApSAcK IDNot Available
Chemspider ID65298
KEGG Compound IDC04132
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID5571
PubChem Compound72361
PDB IDNot Available
ChEBI ID133343
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceSaito, Tomoo; Noguchi, Junzo; Komatsu, Kiroku. The esterification of carbohydrates in concentrated sul-furic acid. III. The synthesis of 2-amino-2-deoxy-D-glucose O-sulfate, 2-acetamido-2-deoxy-D-glucose-6-sulfate and its calcium and barium salts. Nippon Kagaku Zasshi (1961), 82 472-4.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Skelton TP, Hooper LV, Srivastava V, Hindsgaul O, Baenziger JU: Characterization of a sulfotransferase responsible for the 4-O-sulfation of terminal beta-N-acetyl-D-galactosamine on asparagine-linked oligosaccharides of glycoprotein hormones. J Biol Chem. 1991 Sep 15;266(26):17142-50. [PubMed:1894609 ]
  2. Lindahl B, Westling C, Gimenez-Gallego G, Lindahl U, Salmivirta M: Common binding sites for beta-amyloid fibrils and fibroblast growth factor-2 in heparan sulfate from human cerebral cortex. J Biol Chem. 1999 Oct 22;274(43):30631-5. [PubMed:10521448 ]
  3. Ishihara K, Kameyama J, Hotta K: Development of an HPLC method to estimate hexosamines and its application to determine mucin content in rat and human gastric mucosa. Comp Biochem Physiol B. 1993 Apr;104(4):781-6. [PubMed:8472545 ]
  4. Ishihara M, Takano R, Kanda T, Hayashi K, Hara S, Kikuchi H, Yoshida K: Importance of 6-O-sulfate groups of glucosamine residues in heparin for activation of FGF-1 and FGF-2. J Biochem. 1995 Dec;118(6):1255-60. [PubMed:8720143 ]
  5. Maldonado M, Weerasinghe G, Ambroise F, Yamoah E, Londono M, Pelayo JC, Grigorian M, Oppenheimer SB: The charged milieu: a major player in fertilization reactions. Acta Histochem. 2004 Feb;106(1):3-10. [PubMed:15032323 ]
  6. Ramsay SL, Meikle PJ, Hopwood JJ: Determination of monosaccharides and disaccharides in mucopolysaccharidoses patients by electrospray ionisation mass spectrometry. Mol Genet Metab. 2003 Mar;78(3):193-204. [PubMed:12649064 ]
  7. Foot M, Mulholland M: Classification of chondroitin sulfate A, chondroitin sulfate C, glucosamine hydrochloride and glucosamine 6 sulfate using chemometric techniques. J Pharm Biomed Anal. 2005 Jul 1;38(3):397-407. [PubMed:15925239 ]
  8. Kashige N, Yamaguchi T, Ohtakara A, Mitsutomi M, Brimacombe JS, Miake F, Watanabe K: Structure-activity relationships in the induction of single-strand breakage in plasmid pBR322 DNA by amino sugars and derivatives. Carbohydr Res. 1994 May 5;257(2):285-91. [PubMed:8013009 ]
  9. Bame KJ, Lidholt K, Lindahl U, Esko JD: Biosynthesis of heparan sulfate. Coordination of polymer-modification reactions in a Chinese hamster ovary cell mutant defective in N-sulfotransferase. J Biol Chem. 1991 Jun 5;266(16):10287-93. [PubMed:2037581 ]
  10. Maccarana M, Sakura Y, Tawada A, Yoshida K, Lindahl U: Domain structure of heparan sulfates from bovine organs. J Biol Chem. 1996 Jul 26;271(30):17804-10. [PubMed:8663266 ]
  11. Bruce JS, McLean MW, Williamson FB, Long WF: Flavobacterium heparinum 6-O-sulphatase for N-substituted glucosamine 6-O-sulphate. Eur J Biochem. 1985 Oct 1;152(1):75-82. [PubMed:4043087 ]
  12. Bagasra O, Whittle P, Heins B, Pomerantz RJ: Anti-human immunodeficiency virus type 1 activity of sulfated monosaccharides: comparison with sulfated polysaccharides and other polyions. J Infect Dis. 1991 Dec;164(6):1082-90. [PubMed:1720153 ]
  13. Yagita M, Nakajima M, Saksela E: Suppression of human natural killer cell activity by amino sugars. Cell Immunol. 1989 Aug;122(1):83-95. [PubMed:2752431 ]
  14. Salmivirta M, Safaiyan F, Prydz K, Andresen MS, Aryan M, Kolset SO: Differentiation-associated modulation of heparan sulfate structure and function in CaCo-2 colon carcinoma cells. Glycobiology. 1998 Oct;8(10):1029-36. [PubMed:9719684 ]
  15. Petitou M, Duchaussoy P, Lederman I, Choay J, Sinay P: Binding of heparin to antithrombin III: a chemical proof of the critical role played by a 3-sulfated 2-amino-2-deoxy-D-glucose residue. Carbohydr Res. 1988 Aug 15;179:163-72. [PubMed:3208245 ]
  16. (). Bourhill, G., Mansour, K., Perry, Kelly J., Khundkar, L., Sleva, Edward T., Kern, R., Perry, Joseph W., Williams, Ian D., Kurtz, Stewart K. Second-order nonlinear optical properties of saccharide materials. Proceedings of SPIE-The International Society for Optical Engineering (1993), 1853(Organic and Biological Optoelectronics), 110-25. .
  17. (). O'Shea, Thomas J., Lunte, Susan M., LaCourse, William R. Detection of carbohydrates by capillary electrophoresis with pulsed amperometric detection. Analytical Chemistry (1993), 65(7), 948-51. .
  18. (). Dallinga, Jan W., Rinkema, Fedde D., Heerma, Wigger. Fast atom bombardment mass spectrometry of some aminoglucoses and glucosamine phosphates and sulfates. Biomedical & Environmental Mass Spectrometry (1989), 18(4), 241-6. .
  19. (). Amar, M., Dumeirain, F., Barre, A., Chatelain, C., Rouge, P. Interaction of legume lectins with sulfated and phosphorylated monosaccharides. Lectins: Biology, Biochemistry, Clinical Biochemistry (1997), 11 33-38. .
  20. (). Saito, T., Noguchi, J., Komatsu, Kiroku. The esterification of carbohydrates in concentrated sul-furic acid. III. The synthesis of 2-amino-2-deoxy-D-glucose O-sulfate, 2-acetamido-2-deoxy-D-glucose-6-sulfate and its calcium and barium salts. Nippon Kagaku Zasshi (1961), 82 472-4. .
  21. (). Bourhill, G., Mansour, K., Perry, Kelly J., Khundkar, L., Sleva, Edward T., Kern, R., Perry, Joseph W., Williams, Ian D., Kurtz, Stewart K. Powder second harmonic generation efficiencies of saccharide materials. Chemistry of Materials (1993), 5(6), 802-8. .