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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 05:12:22 UTC
Update Date2022-03-07 03:17:57 UTC
HMDB IDHMDB0062641
Secondary Accession Numbers
  • HMDB62641
Metabolite Identification
Common NameAldehydo-N-acetyl-D-glucosamine
DescriptionAldehydo-N-acetyl-D-glucosamine, also known as 2-acetamido-2-Deoxy-D-glucose or D-GlcNAc, is classified as a member of the Hexoses. Hexoses are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Aldehydo-N-acetyl-D-glucosamine is considered to be soluble (in water) and acidic. Aldehydo-N-acetyl-D-glucosamine is a drug which is used for the treatment and prevention of osteoarthritis, by itself or in combination with chondroitin sulfate
Structure
Data?1563866340
Synonyms
ValueSource
2-Acetamido-2-deoxy-D-glucoseChEBI
D-GlcNAcChEBI
N-Acetyl-D-glucosamineChEBI
N-AcetylchitosamineChEBI
N Acetyl D glucosamineHMDB
2 Acetamido 2 deoxy D glucoseHMDB
2 Acetamido 2 deoxyglucoseHMDB
2-Acetamido-2-deoxyglucoseHMDB
AcetylglucosamineHMDB
Chemical FormulaC8H15NO6
Average Molecular Weight221.2078
Monoisotopic Molecular Weight221.089937217
IUPAC NameN-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
Traditional NameN acetylglucosamine
CAS Registry NumberNot Available
SMILES
[H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI Identifier
InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1
InChI KeyMBLBDJOUHNCFQT-LXGUWJNJSA-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
  • Amino saccharide
  • Beta-hydroxy aldehyde
  • Acetamide
  • Carboxamide group
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Carboxylic acid derivative
  • Polyol
  • Aldehyde
  • Organonitrogen compound
  • Organic oxide
  • Alcohol
  • Organopnictogen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Primary alcohol
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Source

Route of exposure

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility148 g/lALOGPS
LogP-2.10ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-2.1ALOGPS
logP-3.9ChemAxon
logS-0.18ALOGPS
pKa (Strongest Acidic)11.56ChemAxon
pKa (Strongest Basic)-1.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area127.09 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity48.45 m³·mol⁻¹ChemAxon
Polarizability20.49 ųChemAxon
Number of Rings0ChemAxon
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]+152.11231661259
DarkChem[M-H]-148.89531661259
DeepCCS[M+H]+156.15430932474
DeepCCS[M-H]-153.79630932474
DeepCCS[M-2H]-188.03530932474
DeepCCS[M+Na]+163.11330932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Aldehydo-N-acetyl-D-glucosamine[H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO3280.7Standard polar33892256
Aldehydo-N-acetyl-D-glucosamine[H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO1808.1Standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine[H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO2091.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Aldehydo-N-acetyl-D-glucosamine,1TMS,isomer #1CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO1865.8Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,1TMS,isomer #2CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO1873.5Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,1TMS,isomer #3CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C1869.0Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,1TMS,isomer #4CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C1866.2Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,1TMS,isomer #5CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO2066.4Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,1TMS,isomer #6CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)[Si](C)(C)C1910.0Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TMS,isomer #1CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO1943.3Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TMS,isomer #10CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1935.8Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TMS,isomer #11CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C2102.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TMS,isomer #12CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C1946.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TMS,isomer #13CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C2100.0Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TMS,isomer #14CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C1949.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TMS,isomer #15CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO)[Si](C)(C)C2119.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TMS,isomer #2CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C1960.8Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TMS,isomer #3CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C1939.1Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TMS,isomer #4CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO2097.2Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TMS,isomer #5CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C1948.1Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TMS,isomer #6CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1950.1Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TMS,isomer #7CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1947.2Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TMS,isomer #8CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO2112.6Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TMS,isomer #9CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C1953.1Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #1CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2033.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #10CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C2114.0Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #11CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C2003.8Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #12CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2140.6Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #13CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2014.5Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #14CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C2142.5Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #15CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C2016.2Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #16CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C2140.6Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #17CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C2132.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #18CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2011.0Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #19CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2140.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #2CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C2029.0Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #20CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C2134.5Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #3CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO2155.3Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #4CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C2001.5Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #5CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C2018.4Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #6CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C2148.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #7CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2011.2Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #8CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C2135.3Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TMS,isomer #9CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C2012.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TMS,isomer #1CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C2077.6Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TMS,isomer #10CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C2159.8Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TMS,isomer #11CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C2163.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TMS,isomer #12CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2044.5Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TMS,isomer #13CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2187.2Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TMS,isomer #14CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C2187.6Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TMS,isomer #15CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2178.0Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TMS,isomer #2CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2198.3Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TMS,isomer #3CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2050.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TMS,isomer #4CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C2188.5Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TMS,isomer #5CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C2047.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TMS,isomer #6CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C2150.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TMS,isomer #7CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C2176.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TMS,isomer #8CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2043.5Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TMS,isomer #9CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2167.6Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #1CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C2191.4Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #1CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C2095.5Standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #1CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C2507.1Standard polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #2CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2101.4Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #2CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2131.9Standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #2CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2125.5Standard polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #3CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2176.0Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #3CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2102.6Standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #3CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2337.1Standard polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #4CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C2171.4Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #4CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C2108.0Standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #4CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C2349.3Standard polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #5CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2171.2Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #5CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2106.8Standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #5CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2375.1Standard polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #6CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2196.8Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #6CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2111.3Standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TMS,isomer #6CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2408.6Standard polar33892256
Aldehydo-N-acetyl-D-glucosamine,6TMS,isomer #1CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2219.1Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,6TMS,isomer #1CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2154.9Standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,6TMS,isomer #1CC(=O)N(C(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2273.0Standard polar33892256
Aldehydo-N-acetyl-D-glucosamine,1TBDMS,isomer #1CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO2120.2Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,1TBDMS,isomer #2CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2127.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,1TBDMS,isomer #3CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2117.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,1TBDMS,isomer #4CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2123.2Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,1TBDMS,isomer #5CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO2325.1Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,1TBDMS,isomer #6CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C2183.5Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TBDMS,isomer #1CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2419.2Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TBDMS,isomer #10CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2397.6Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TBDMS,isomer #11CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2563.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TBDMS,isomer #12CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2448.3Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TBDMS,isomer #13CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2575.3Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TBDMS,isomer #14CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2447.2Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TBDMS,isomer #15CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C2588.8Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TBDMS,isomer #2CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2429.8Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TBDMS,isomer #3CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2410.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TBDMS,isomer #4CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO2561.6Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TBDMS,isomer #5CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C2436.2Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TBDMS,isomer #6CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2421.6Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TBDMS,isomer #7CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2413.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TBDMS,isomer #8CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2568.8Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,2TBDMS,isomer #9CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C2451.0Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #1CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2695.8Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #10CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C2779.6Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #11CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2676.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #12CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2803.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #13CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2725.6Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #14CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2797.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #15CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2729.5Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #16CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C2809.6Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #17CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2790.6Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #18CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2715.4Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #19CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2807.6Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #2CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2695.6Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #20CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2789.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #3CC(=O)NC(=CO[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](O)CO2805.4Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #4CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C2701.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #5CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2690.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #6CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2813.5Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #7CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2710.2Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #8CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2799.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,3TBDMS,isomer #9CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2705.4Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TBDMS,isomer #1CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2962.3Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TBDMS,isomer #10CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3022.4Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TBDMS,isomer #11CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3031.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TBDMS,isomer #12CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2970.0Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TBDMS,isomer #13CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3047.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TBDMS,isomer #14CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3042.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TBDMS,isomer #15CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3019.4Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TBDMS,isomer #2CC(=O)NC(=CO[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](CO)O[Si](C)(C)C(C)(C)C3049.5Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TBDMS,isomer #3CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2929.1Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TBDMS,isomer #4CC(=O)NC(=CO[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](O)CO[Si](C)(C)C(C)(C)C3045.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TBDMS,isomer #5CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2938.4Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TBDMS,isomer #6CC(=O)N(C(=CO[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](O)CO)[Si](C)(C)C(C)(C)C3018.0Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TBDMS,isomer #7CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3039.3Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TBDMS,isomer #8CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2931.5Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,4TBDMS,isomer #9CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3037.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #1CC(=O)NC(=CO[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](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3274.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #1CC(=O)NC(=CO[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](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2931.2Standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #1CC(=O)NC(=CO[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](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2909.1Standard polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #2CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3173.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #2CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3012.4Standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #2CC(=O)N([C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2668.4Standard polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #3CC(=O)N(C(=CO[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](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3236.7Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #3CC(=O)N(C(=CO[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](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2962.4Standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #3CC(=O)N(C(=CO[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](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2792.8Standard polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #4CC(=O)N(C(=CO[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](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3229.3Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #4CC(=O)N(C(=CO[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](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2965.9Standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #4CC(=O)N(C(=CO[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](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2812.3Standard polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #5CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3224.2Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #5CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2968.9Standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #5CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2826.6Standard polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #6CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3236.9Semi standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #6CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2965.9Standard non polar33892256
Aldehydo-N-acetyl-D-glucosamine,5TBDMS,isomer #6CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2850.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Aldehydo-N-acetyl-D-glucosamine GC-MS (1 MEOX; 5 TMS)splash10-0pvi-1931000000-fa145dffe949e1d8fc542014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Aldehydo-N-acetyl-D-glucosamine GC-MS (1 MEOX; 4 TMS)splash10-0lmr-2972000000-0672da151d0105b7b0112014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Aldehydo-N-acetyl-D-glucosamine GC-MS (1 MEOX; 5 TMS)splash10-1000-2941000000-6e4ded528b518089efcb2014-06-16HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-N-acetyl-D-glucosamine GC-MS (Non-derivatized) - 70eV, Positivesplash10-03di-9410000000-fde7b53bfdaa0df8ff8e2017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-N-acetyl-D-glucosamine GC-MS (4 TMS) - 70eV, Positivesplash10-0ki6-4121900000-18b0ee1e1336294449842017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-N-acetyl-D-glucosamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-N-acetyl-D-glucosamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-N-acetyl-D-glucosamine 10V, Positive-QTOFsplash10-0fk9-2790000000-c3f61bee76bc8ac4c91a2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-N-acetyl-D-glucosamine 20V, Positive-QTOFsplash10-0pb9-9400000000-d8b548f3959cb7f090cf2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-N-acetyl-D-glucosamine 40V, Positive-QTOFsplash10-0bt9-9200000000-92b84dd993b3d248f4d52016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-N-acetyl-D-glucosamine 10V, Negative-QTOFsplash10-0c00-4920000000-e3a957b6dba9be60ab8e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-N-acetyl-D-glucosamine 20V, Negative-QTOFsplash10-0bt9-9700000000-07eb56e1cdd8e2e222042016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-N-acetyl-D-glucosamine 40V, Negative-QTOFsplash10-0a4l-9100000000-1798f1fad925afb90a462016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-N-acetyl-D-glucosamine 10V, Negative-QTOFsplash10-0a4i-9620000000-fa26c0d4115499ca9cc62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-N-acetyl-D-glucosamine 20V, Negative-QTOFsplash10-0a4i-9300000000-3db8c0b0a16aa039820a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-N-acetyl-D-glucosamine 40V, Negative-QTOFsplash10-0a4i-9000000000-d1c22a73a8c0db9cbb372021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-N-acetyl-D-glucosamine 10V, Positive-QTOFsplash10-0uk9-0930000000-989d291f15bcfbf9e7ba2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-N-acetyl-D-glucosamine 20V, Positive-QTOFsplash10-0h90-9200000000-072a7fc2c3633ff489c82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-N-acetyl-D-glucosamine 40V, Positive-QTOFsplash10-03dl-9100000000-35fc16709d9b33d781002021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00141
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound1738118
PDB IDNot Available
ChEBI ID17411
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available