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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:45:59 UTC
HMDB IDHMDB0000814
Secondary Accession Numbers
  • HMDB00814
Metabolite Identification
Common NameN-Acetylglucosamine 6-sulfate
DescriptionN-Acetylglucosamine 6-sulfate, also known as (6S)glcnacb or beta-D-glcnac6S, belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group. N-Acetylglucosamine 6-sulfate has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make N-acetylglucosamine 6-sulfate a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on N-Acetylglucosamine 6-sulfate.
Structure
Data?1582752158
Synonyms
ValueSource
(6S)GlcNAcbChEBI
(6S)GlcNAcbetaChEBI
4[6OSO3]glcnacbetaChEBI
6-O-SulfO-N-acetyl-beta-D-glucosamineChEBI
beta-D-GlcNAc6SChEBI
beta-D-GlcpNAc6SChEBI
N-Acetyl-D-glucosamine 6-sulfateChEBI
N-Acetylglucosamine 6-sulfic acidChEBI
6-O-SulfO-N-acetyl-b-D-glucosamineGenerator
6-O-SulfO-N-acetyl-β-D-glucosamineGenerator
6-O-SulphO-N-acetyl-b-D-glucosamineGenerator
6-O-SulphO-N-acetyl-beta-D-glucosamineGenerator
6-O-SulphO-N-acetyl-β-D-glucosamineGenerator
b-D-GlcNAc6SGenerator
Β-D-glcnac6SGenerator
b-D-GlcpNAc6SGenerator
Β-D-glcpnac6SGenerator
N-Acetyl-D-glucosamine 6-sulfuric acidGenerator
N-Acetyl-D-glucosamine 6-sulphateGenerator
N-Acetyl-D-glucosamine 6-sulphuric acidGenerator
N-Acetylglucosamine 6-sulfuric acidGenerator
N-Acetylglucosamine 6-sulphateGenerator
N-Acetylglucosamine 6-sulphuric acidGenerator
Aga-6-SHMDB
N-Acetyl-glucosamine 6-(hydrogen sulfate)HMDB
N-Acetyl-glucosamine 6-(hydrogen sulphate)HMDB
N-Acetylglucosamine-6-sulfateHMDB
GlcNAc-6-O-sulfateHMDB
N-Acetyl-b-D-glucosamine 6-sulfateHMDB
N-Acetyl-b-D-glucosamine 6-sulfuric acidHMDB
N-Acetyl-b-D-glucosamine 6-sulphateHMDB
N-Acetyl-b-D-glucosamine 6-sulphuric acidHMDB
N-Acetyl-beta-D-glucosamine 6-sulfuric acidHMDB
N-Acetyl-beta-D-glucosamine 6-sulphateHMDB
N-Acetyl-beta-D-glucosamine 6-sulphuric acidHMDB
N-Acetyl-β-D-glucosamine 6-sulfateHMDB
N-Acetyl-β-D-glucosamine 6-sulfuric acidHMDB
N-Acetyl-β-D-glucosamine 6-sulphateHMDB
N-Acetyl-β-D-glucosamine 6-sulphuric acidHMDB
N-Acetylglucosamine 6-sulfateChEBI
Chemical FormulaC8H15NO9S
Average Molecular Weight301.271
Monoisotopic Molecular Weight301.046751773
IUPAC Name{[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy}sulfonic acid
Traditional Name[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxysulfonic acid
CAS Registry Number10356-99-7
SMILES
CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O
InChI Identifier
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)/t4-,5-,6-,7-,8-/m1/s1
InChI KeyWJFVEEAIYIOATH-FMDGEEDCSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentAcylaminosugars
Alternative Parents
Substituents
  • Acylaminosugar
  • N-acyl-alpha-hexosamine
  • Hexose monosaccharide
  • Monosaccharide sulfate
  • Monosaccharide
  • Oxane
  • Sulfuric acid ester
  • Alkyl sulfate
  • Sulfate-ester
  • Sulfuric acid monoester
  • Organic sulfuric acid or derivatives
  • Acetamide
  • 1,2-diol
  • Carboxamide group
  • Hemiacetal
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Oxacycle
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Alcohol
  • Organic nitrogen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
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 Solubility44.5 g/LALOGPS
logP-2ALOGPS
logP-5ChemAxon
logS-0.83ALOGPS
pKa (Strongest Acidic)-2.1ChemAxon
pKa (Strongest Basic)-1.4ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area162.62 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity57.02 m³·mol⁻¹ChemAxon
Polarizability26.71 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]+169.78731661259
DarkChem[M-H]-164.6231661259
AllCCS[M+H]+164.57232859911
AllCCS[M-H]-159.21932859911
DeepCCS[M+H]+165.7830932474
DeepCCS[M-H]-163.42230932474
DeepCCS[M-2H]-197.85530932474
DeepCCS[M+Na]+173.64930932474
AllCCS[M+H]+164.632859911
AllCCS[M+H-H2O]+161.332859911
AllCCS[M+NH4]+167.632859911
AllCCS[M+Na]+168.432859911
AllCCS[M-H]-159.232859911
AllCCS[M+Na-2H]-159.332859911
AllCCS[M+HCOO]-159.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-Acetylglucosamine 6-sulfateCC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O4570.9Standard polar33892256
N-Acetylglucosamine 6-sulfateCC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O2038.5Standard non polar33892256
N-Acetylglucosamine 6-sulfateCC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O2644.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-Acetylglucosamine 6-sulfate,1TMS,isomer #1CC(=O)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O2298.6Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,1TMS,isomer #2CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O2314.6Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,1TMS,isomer #3CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C2310.6Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,1TMS,isomer #4CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O2371.6Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,1TMS,isomer #5CC(=O)N([C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O)[Si](C)(C)C2376.6Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TMS,isomer #1CC(=O)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]1O2336.6Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TMS,isomer #10CC(=O)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)C2422.3Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TMS,isomer #2CC(=O)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)C2343.6Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TMS,isomer #3CC(=O)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]1O2390.1Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TMS,isomer #4CC(=O)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)C2363.4Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TMS,isomer #5CC(=O)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)C2346.0Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TMS,isomer #6CC(=O)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]1O2407.7Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TMS,isomer #7CC(=O)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)C2382.6Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TMS,isomer #8CC(=O)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)C2420.6Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TMS,isomer #9CC(=O)N([C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2390.7Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TMS,isomer #1CC(=O)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)C2399.1Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TMS,isomer #10CC(=O)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)C)[Si](C)(C)C2447.5Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TMS,isomer #2CC(=O)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]1O2422.3Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TMS,isomer #3CC(=O)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)C2405.0Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TMS,isomer #4CC(=O)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)C2437.2Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TMS,isomer #5CC(=O)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)C)[Si](C)(C)C2416.9Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TMS,isomer #6CC(=O)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)C2410.8Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TMS,isomer #7CC(=O)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)C2444.3Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TMS,isomer #8CC(=O)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)C)[Si](C)(C)C2422.5Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TMS,isomer #9CC(=O)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)C2446.7Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TMS,isomer #1CC(=O)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)C2454.3Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TMS,isomer #1CC(=O)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)C2963.2Standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TMS,isomer #1CC(=O)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)C3240.9Standard polar33892256
N-Acetylglucosamine 6-sulfate,4TMS,isomer #2CC(=O)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)C)[Si](C)(C)C2457.7Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TMS,isomer #2CC(=O)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)C)[Si](C)(C)C3009.1Standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TMS,isomer #2CC(=O)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)C)[Si](C)(C)C3229.0Standard polar33892256
N-Acetylglucosamine 6-sulfate,4TMS,isomer #3CC(=O)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)C2461.9Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TMS,isomer #3CC(=O)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)C2994.5Standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TMS,isomer #3CC(=O)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)C3172.6Standard polar33892256
N-Acetylglucosamine 6-sulfate,4TMS,isomer #4CC(=O)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)C)[Si](C)(C)C2486.0Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TMS,isomer #4CC(=O)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)C)[Si](C)(C)C3002.8Standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TMS,isomer #4CC(=O)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)C)[Si](C)(C)C3193.3Standard polar33892256
N-Acetylglucosamine 6-sulfate,4TMS,isomer #5CC(=O)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)C)[Si](C)(C)C2493.9Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TMS,isomer #5CC(=O)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)C)[Si](C)(C)C2994.7Standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TMS,isomer #5CC(=O)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)C)[Si](C)(C)C3178.4Standard polar33892256
N-Acetylglucosamine 6-sulfate,5TMS,isomer #1CC(=O)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)C)[Si](C)(C)C2498.6Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,5TMS,isomer #1CC(=O)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)C)[Si](C)(C)C3128.2Standard non polar33892256
N-Acetylglucosamine 6-sulfate,5TMS,isomer #1CC(=O)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)C)[Si](C)(C)C2968.0Standard polar33892256
N-Acetylglucosamine 6-sulfate,1TBDMS,isomer #1CC(=O)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]1O2532.1Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,1TBDMS,isomer #2CC(=O)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]1O2561.0Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,1TBDMS,isomer #3CC(=O)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)C2562.9Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,1TBDMS,isomer #4CC(=O)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]1O2632.6Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,1TBDMS,isomer #5CC(=O)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)C2634.0Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TBDMS,isomer #1CC(=O)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]1O2814.1Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TBDMS,isomer #10CC(=O)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)C2879.1Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TBDMS,isomer #2CC(=O)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)C2796.4Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TBDMS,isomer #3CC(=O)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]1O2867.1Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TBDMS,isomer #4CC(=O)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)C2806.6Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TBDMS,isomer #5CC(=O)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)C2815.9Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TBDMS,isomer #6CC(=O)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]1O2870.3Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TBDMS,isomer #7CC(=O)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)C2835.7Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TBDMS,isomer #8CC(=O)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)C2897.7Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,2TBDMS,isomer #9CC(=O)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)C)[Si](C)(C)C(C)(C)C2842.6Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TBDMS,isomer #1CC(=O)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)C3049.3Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TBDMS,isomer #10CC(=O)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)C)[Si](C)(C)C(C)(C)C3095.1Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TBDMS,isomer #2CC(=O)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]1O3103.0Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TBDMS,isomer #3CC(=O)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)C3064.8Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TBDMS,isomer #4CC(=O)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)C3087.1Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TBDMS,isomer #5CC(=O)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)C)[Si](C)(C)C(C)(C)C3065.7Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TBDMS,isomer #6CC(=O)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)C3060.6Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TBDMS,isomer #7CC(=O)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)C3107.9Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TBDMS,isomer #8CC(=O)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)C)[Si](C)(C)C(C)(C)C3072.1Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,3TBDMS,isomer #9CC(=O)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)C3093.7Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TBDMS,isomer #1CC(=O)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)C3307.7Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TBDMS,isomer #1CC(=O)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)C4075.0Standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TBDMS,isomer #1CC(=O)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)C3457.0Standard polar33892256
N-Acetylglucosamine 6-sulfate,4TBDMS,isomer #2CC(=O)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)C)[Si](C)(C)C(C)(C)C3317.6Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TBDMS,isomer #2CC(=O)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)C)[Si](C)(C)C(C)(C)C4050.1Standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TBDMS,isomer #2CC(=O)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)C)[Si](C)(C)C(C)(C)C3455.5Standard polar33892256
N-Acetylglucosamine 6-sulfate,4TBDMS,isomer #3CC(=O)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)C3304.4Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TBDMS,isomer #3CC(=O)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)C4087.1Standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TBDMS,isomer #3CC(=O)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)C3399.0Standard polar33892256
N-Acetylglucosamine 6-sulfate,4TBDMS,isomer #4CC(=O)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)C)[Si](C)(C)C(C)(C)C3306.1Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TBDMS,isomer #4CC(=O)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)C)[Si](C)(C)C(C)(C)C4095.0Standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TBDMS,isomer #4CC(=O)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)C)[Si](C)(C)C(C)(C)C3422.9Standard polar33892256
N-Acetylglucosamine 6-sulfate,4TBDMS,isomer #5CC(=O)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)C)[Si](C)(C)C(C)(C)C3316.3Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TBDMS,isomer #5CC(=O)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)C)[Si](C)(C)C(C)(C)C4089.1Standard non polar33892256
N-Acetylglucosamine 6-sulfate,4TBDMS,isomer #5CC(=O)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)C)[Si](C)(C)C(C)(C)C3407.5Standard polar33892256
N-Acetylglucosamine 6-sulfate,5TBDMS,isomer #1CC(=O)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)C)[Si](C)(C)C(C)(C)C3538.7Semi standard non polar33892256
N-Acetylglucosamine 6-sulfate,5TBDMS,isomer #1CC(=O)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)C)[Si](C)(C)C(C)(C)C4424.1Standard non polar33892256
N-Acetylglucosamine 6-sulfate,5TBDMS,isomer #1CC(=O)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)C)[Si](C)(C)C(C)(C)C3336.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-4950000000-13940ac5e468432398b72017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (3 TMS) - 70eV, Positivesplash10-0uk9-9642360000-0556f57524c6e051ccce2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylglucosamine 6-sulfate GC-MS (TMS_3_7) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylglucosamine 6-sulfate 40V, Positive-QTOFsplash10-05mo-9000000000-817a28ce9885692357552021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylglucosamine 6-sulfate 10V, Positive-QTOFsplash10-01vo-9340000000-504c36bfe143b4a7f4632021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylglucosamine 6-sulfate 20V, Positive-QTOFsplash10-0229-9100000000-264590e50946f7a0d3592021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-sulfate 10V, Positive-QTOFsplash10-0zfr-0195000000-af51c028ca94369e79002016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-sulfate 20V, Positive-QTOFsplash10-0w29-2490000000-08e64b3e000c397dda1d2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-sulfate 40V, Positive-QTOFsplash10-00di-5900000000-3f03e4ada13ce3606f782016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-sulfate 10V, Negative-QTOFsplash10-0uxr-1931000000-1fbdf0a6dbb5c47e4eff2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-sulfate 20V, Negative-QTOFsplash10-0pc1-9650000000-3e144b064fa9aab049032016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-sulfate 40V, Negative-QTOFsplash10-0a4i-9200000000-fc434687f458b9ffe5c02016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-sulfate 10V, Positive-QTOFsplash10-0udi-0059000000-051383097e9025ca37c92021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-sulfate 20V, Positive-QTOFsplash10-0udi-3941000000-a84f1b793e2c4952e0a82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-sulfate 40V, Positive-QTOFsplash10-0089-9300000000-0de82fc7fb25dbc826ff2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-sulfate 10V, Negative-QTOFsplash10-0udi-1779000000-9a99656e709794566a742021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-sulfate 20V, Negative-QTOFsplash10-0002-9352000000-d2641968250788de19132021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-sulfate 40V, Negative-QTOFsplash10-0002-9100000000-6969d41c96331cb033e62021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart 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
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected and Quantified8031.0 umol/mmol creatinineAdult (>18 years old)BothMucopolysaccharidosis type IIID details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022261
KNApSAcK IDNot Available
Chemspider ID389219
KEGG Compound IDC04132
BioCyc IDCPD-13665
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID5778
PubChem Compound440235
PDB IDNot Available
ChEBI ID28132
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)Not Available
General References
  1. Freeman C, Hopwood JJ: Sanfilippo D syndrome: estimation of N-acetylglucosamine-6-sulfatase activity with a radiolabeled monosulfated disaccharide substrate. Anal Biochem. 1989 Feb 1;176(2):244-8. [PubMed:2500866 ]
  2. Chambers WH, Oeltmann TN: The effects of hexose 6-O-sulfate esters on human natural killer cell lytic function. J Immunol. 1986 Sep 1;137(5):1469-74. [PubMed:3462244 ]
  3. Hopwood JJ, Elliott H: N-acetylglucosamine 6-sulfate residues in keratan sulfate and heparan sulfate are desulfated by the same enzyme. Biochem Int. 1983 Feb;6(2):141-8. [PubMed:6236815 ]
  4. Fuchs W, Beck M, Kresse H: Intralysosomal formation and metabolic fate of N-acetylglucosamine 6-sulfate from keratan sulfate. Eur J Biochem. 1985 Sep 16;151(3):551-6. [PubMed:3161730 ]
  5. Basner R, Kresse H, von Figura K: N-Acetylglucosamine-6-sulfate sulfatase from human urine. J Biol Chem. 1979 Feb 25;254(4):1151-8. [PubMed:762121 ]
  6. Spiro RG, Bhoyroo VD: Occurrence of sulfate in the asparagine-linked complex carbohydrate units of thyroglobulin. Identification and localization of galactose 3-sulfate and N-acetylglucosamine 6-sulfate residues in the human and calf proteins. J Biol Chem. 1988 Oct 5;263(28):14351-8. [PubMed:3170547 ]
  7. Slomiany BL, Murty VL, Piotrowski J, Grabska M, Slomiany A: Glycosulfatase activity of H. pylori toward human gastric mucin: effect of sucralfate. Am J Gastroenterol. 1992 Sep;87(9):1132-7. [PubMed:1381553 ]
  8. Hopwood JJ, Elliott H: Isolation and characterization of N-acetylglucosamine 6-sulfate from the urine of a patient with Sanfilippo type D syndrome and its occurrence in normal urine. Biochem Int. 1983 Jun;6(6):831-6. [PubMed:6435628 ]