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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 IDHMDB0001104
Secondary Accession Numbers
  • HMDB0011755
  • HMDB01104
  • HMDB11755
Metabolite Identification
Common NameN-Acetyl-b-glucosaminylamine
DescriptionN-Acetyl-b-glucosaminylamine is the product of a reaction catalyzed vy the enzyme N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase [EC 3.5.1.26, Aspartylglucosaminidase, AGA]. AGA is a key enzyme in the catabolism of N-linked oligosaccharides of glycoproteins. It cleaves the asparagine from the residual N-acetylglucosamines as one of the final steps in the lysosomal breakdown of glycoproteins. Aspartylglucosaminuria (AGU) is a lysosomal disease caused by deficiency of N-aspartyl-beta-glucosaminidase. AGU is the only known lysosomal storage disease caused by an amidase deficiency. (OMIM208400 ).
Structure
Data?1582752177
Synonyms
ValueSource
N-Acetyl-b-D-glucosaminylamineHMDB
N-Acetyl-beta-D-glucosaminylamineHMDB
N-Acetyl-beta-delta-glucosaminylamineHMDB
N-Acetyl-beta-glucosaminylamineHMDB
Chemical FormulaC8H16N2O5
Average Molecular Weight220.223
Monoisotopic Molecular Weight220.105921632
IUPAC NameN-[(2R,3R,4R,5S,6R)-2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Traditional NameN-acetyl-β-D-glucosaminylamine
CAS Registry NumberNot Available
SMILES
CC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1
InChI KeyMCGXOCXFFNKASF-FMDGEEDCSA-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
  • Oxane
  • Acetamide
  • Carboxamide group
  • Hemiaminal
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Carboxylic acid derivative
  • Oxacycle
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic oxide
  • Organopnictogen compound
  • Alcohol
  • Organic nitrogen compound
  • Primary alcohol
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
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 Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Not Available155.3http://allccs.zhulab.cn/database/detail?ID=AllCCS00002136
Predicted Molecular Properties
PropertyValueSource
Water Solubility224 g/LALOGPS
logP10(-2.5) g/LALOGPS
logP10(-3.3) g/LChemAxon
logS10(0.01) g/LALOGPS
pKa (Strongest Acidic)12.51ChemAxon
pKa (Strongest Basic)6.96ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area125.04 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity48.68 m³·mol⁻¹ChemAxon
Polarizability21.58 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]+151.2931661259
DarkChem[M-H]-145.74331661259
AllCCS[M+H]+149.98632859911
AllCCS[M-H]-146.81132859911
DeepCCS[M+H]+153.71430932474
DeepCCS[M-H]-151.31830932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-Acetyl-b-glucosaminylamineCC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O3338.9Standard polar33892256
N-Acetyl-b-glucosaminylamineCC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O2231.0Standard non polar33892256
N-Acetyl-b-glucosaminylamineCC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O2159.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-Acetyl-b-glucosaminylamine,1TMS,isomer #1CC(=O)N[C@H]1[C@H](N)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O1982.1Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,1TMS,isomer #2CC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O1995.5Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,1TMS,isomer #3CC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C2002.4Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,1TMS,isomer #4CC(=O)N[C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O1994.8Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,1TMS,isomer #5CC(=O)N([C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C1898.1Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TMS,isomer #1CC(=O)N[C@H]1[C@H](N)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O2014.6Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TMS,isomer #10CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C1977.0Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TMS,isomer #11CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2139.9Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TMS,isomer #2CC(=O)N[C@H]1[C@H](N)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C2031.9Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TMS,isomer #3CC(=O)N[C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O2044.1Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TMS,isomer #4CC(=O)N([C@H]1[C@H](N)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C1949.4Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TMS,isomer #5CC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2024.9Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TMS,isomer #6CC(=O)N[C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O2040.9Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TMS,isomer #7CC(=O)N([C@H]1[C@H](N)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C1955.7Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TMS,isomer #8CC(=O)N[C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C2047.0Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TMS,isomer #9CC(=O)N([C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C1959.1Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TMS,isomer #1CC(=O)N[C@H]1[C@H](N)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2069.6Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TMS,isomer #10CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C2030.7Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TMS,isomer #11CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2161.1Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TMS,isomer #12CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2044.4Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TMS,isomer #13CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2164.7Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TMS,isomer #14CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2088.7Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TMS,isomer #2CC(=O)N[C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O2105.0Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TMS,isomer #3CC(=O)N([C@H]1[C@H](N)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C2032.3Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TMS,isomer #4CC(=O)N[C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C2106.0Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TMS,isomer #5CC(=O)N([C@H]1[C@H](N)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2029.6Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TMS,isomer #6CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C2003.7Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TMS,isomer #7CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2132.7Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TMS,isomer #8CC(=O)N[C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2103.9Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TMS,isomer #9CC(=O)N([C@H]1[C@H](N)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2018.9Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #1CC(=O)N[C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2132.8Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #1CC(=O)N[C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2169.1Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #1CC(=O)N[C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2536.2Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #10CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2135.1Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #10CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2257.3Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #10CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2479.5Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #11CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2150.8Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #11CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2241.5Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #11CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2501.7Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #2CC(=O)N([C@H]1[C@H](N)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2093.3Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #2CC(=O)N([C@H]1[C@H](N)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2135.3Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #2CC(=O)N([C@H]1[C@H](N)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2738.8Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #3CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C2097.6Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #3CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C2196.5Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #3CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C2418.0Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #4CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2209.5Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #4CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2229.6Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #4CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2603.0Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #5CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2117.4Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #5CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2197.0Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #5CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2439.7Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #6CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2205.6Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #6CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2241.0Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #6CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2561.1Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #7CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2118.8Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #7CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2277.0Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #7CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2599.1Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #8CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2102.8Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #8CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2182.8Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #8CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2377.1Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #9CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2200.4Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #9CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2211.8Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TMS,isomer #9CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2490.9Standard polar33892256
N-Acetyl-b-glucosaminylamine,5TMS,isomer #1CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2162.9Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TMS,isomer #1CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2246.2Standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TMS,isomer #1CC(=O)N([C@H]1[C@H](N[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2275.7Standard polar33892256
N-Acetyl-b-glucosaminylamine,5TMS,isomer #2CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2220.5Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TMS,isomer #2CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2279.5Standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TMS,isomer #2CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C2386.7Standard polar33892256
N-Acetyl-b-glucosaminylamine,5TMS,isomer #3CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2211.4Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TMS,isomer #3CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2325.5Standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TMS,isomer #3CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2315.4Standard polar33892256
N-Acetyl-b-glucosaminylamine,5TMS,isomer #4CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2212.3Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TMS,isomer #4CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2317.4Standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TMS,isomer #4CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2340.3Standard polar33892256
N-Acetyl-b-glucosaminylamine,5TMS,isomer #5CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2216.9Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TMS,isomer #5CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2312.0Standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TMS,isomer #5CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2284.0Standard polar33892256
N-Acetyl-b-glucosaminylamine,6TMS,isomer #1CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2288.9Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,6TMS,isomer #1CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2369.4Standard non polar33892256
N-Acetyl-b-glucosaminylamine,6TMS,isomer #1CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2235.9Standard polar33892256
N-Acetyl-b-glucosaminylamine,1TBDMS,isomer #1CC(=O)N[C@H]1[C@H](N)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2248.2Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,1TBDMS,isomer #2CC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2256.2Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,1TBDMS,isomer #3CC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2263.3Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,1TBDMS,isomer #4CC(=O)N[C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O2269.8Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,1TBDMS,isomer #5CC(=O)N([C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C2176.4Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TBDMS,isomer #1CC(=O)N[C@H]1[C@H](N)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2494.2Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TBDMS,isomer #10CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C2446.5Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TBDMS,isomer #11CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2577.3Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TBDMS,isomer #2CC(=O)N[C@H]1[C@H](N)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2520.4Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TBDMS,isomer #3CC(=O)N[C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2525.2Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TBDMS,isomer #4CC(=O)N([C@H]1[C@H](N)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C2432.3Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TBDMS,isomer #5CC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2478.5Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TBDMS,isomer #6CC(=O)N[C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2532.1Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TBDMS,isomer #7CC(=O)N([C@H]1[C@H](N)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C2413.4Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TBDMS,isomer #8CC(=O)N[C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2522.2Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,2TBDMS,isomer #9CC(=O)N([C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2413.2Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TBDMS,isomer #1CC(=O)N[C@H]1[C@H](N)O[C@H](CO[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)C2732.5Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TBDMS,isomer #10CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C2687.0Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TBDMS,isomer #11CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2842.4Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TBDMS,isomer #12CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2686.2Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TBDMS,isomer #13CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2823.4Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TBDMS,isomer #14CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2754.6Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TBDMS,isomer #2CC(=O)N[C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2769.6Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TBDMS,isomer #3CC(=O)N([C@H]1[C@H](N)O[C@H](CO[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)C2674.1Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TBDMS,isomer #4CC(=O)N[C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2751.5Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TBDMS,isomer #5CC(=O)N([C@H]1[C@H](N)O[C@H](CO[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)C2667.9Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TBDMS,isomer #6CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C2687.3Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TBDMS,isomer #7CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2834.3Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TBDMS,isomer #8CC(=O)N[C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2729.3Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,3TBDMS,isomer #9CC(=O)N([C@H]1[C@H](N)O[C@H](CO)[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)C2638.7Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #1CC(=O)N[C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[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)C2947.7Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #1CC(=O)N[C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[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)C2939.2Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #1CC(=O)N[C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[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)C2926.5Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #10CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3010.6Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #10CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3023.1Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #10CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2836.0Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #11CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3000.5Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #11CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2994.7Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #11CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2854.5Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #2CC(=O)N([C@H]1[C@H](N)O[C@H](CO[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)C2894.0Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #2CC(=O)N([C@H]1[C@H](N)O[C@H](CO[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)C2917.8Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #2CC(=O)N([C@H]1[C@H](N)O[C@H](CO[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)C3007.6Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #3CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[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)C2905.4Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #3CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[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)C2976.0Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #3CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[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)C2852.0Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #4CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3065.4Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #4CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3009.2Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #4CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2917.4Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #5CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[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)C2911.2Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #5CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[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)C2979.8Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #5CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[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)C2868.1Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #6CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3049.2Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #6CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3012.3Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #6CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2899.1Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #7CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3006.4Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #7CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3042.5Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #7CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2926.5Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #8CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO)[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)C2897.8Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #8CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO)[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)C2958.1Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #8CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO)[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)C2821.0Standard polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #9CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3041.7Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #9CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2978.6Standard non polar33892256
N-Acetyl-b-glucosaminylamine,4TBDMS,isomer #9CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2844.0Standard polar33892256
N-Acetyl-b-glucosaminylamine,5TBDMS,isomer #1CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[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)C3115.9Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TBDMS,isomer #1CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[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)C3143.3Standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TBDMS,isomer #1CC(=O)N([C@H]1[C@H](N[Si](C)(C)C(C)(C)C)O[C@H](CO[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)C2849.0Standard polar33892256
N-Acetyl-b-glucosaminylamine,5TBDMS,isomer #2CC(=O)N[C@@H]1[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[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3274.6Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TBDMS,isomer #2CC(=O)N[C@@H]1[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[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3176.1Standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TBDMS,isomer #2CC(=O)N[C@@H]1[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[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2872.2Standard polar33892256
N-Acetyl-b-glucosaminylamine,5TBDMS,isomer #3CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3249.0Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TBDMS,isomer #3CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3220.4Standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TBDMS,isomer #3CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2831.3Standard polar33892256
N-Acetyl-b-glucosaminylamine,5TBDMS,isomer #4CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3248.3Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TBDMS,isomer #4CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3202.0Standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TBDMS,isomer #4CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2856.1Standard polar33892256
N-Acetyl-b-glucosaminylamine,5TBDMS,isomer #5CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3243.8Semi standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TBDMS,isomer #5CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3198.3Standard non polar33892256
N-Acetyl-b-glucosaminylamine,5TBDMS,isomer #5CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2815.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetyl-b-glucosaminylamine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0udi-5910000000-55cf8989a8ee5ad6a5bb2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetyl-b-glucosaminylamine GC-MS (3 TMS) - 70eV, Positivesplash10-00di-9888500000-904a7bbedb6489ee080f2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetyl-b-glucosaminylamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetyl-b-glucosaminylamine 40V, Positive-QTOFsplash10-0006-9000000000-d0e730f77ae8080578c12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetyl-b-glucosaminylamine 20V, Positive-QTOFsplash10-01rt-9300000000-8a73183aaa07207c40052021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetyl-b-glucosaminylamine 10V, Positive-QTOFsplash10-03ea-7910000000-6fcdda01547209a571d82021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetyl-b-glucosaminylamine 10V, Positive-QTOFsplash10-00di-1490000000-4a95de73126d7e3510a32015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetyl-b-glucosaminylamine 20V, Positive-QTOFsplash10-0it9-2930000000-88e82f811714931132182015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetyl-b-glucosaminylamine 40V, Positive-QTOFsplash10-01ox-9200000000-095efea0d2143d57e3b92015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetyl-b-glucosaminylamine 10V, Negative-QTOFsplash10-014i-4790000000-4d0ecd54901b2c8787442015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetyl-b-glucosaminylamine 20V, Negative-QTOFsplash10-004i-9820000000-6c949d2435789fb400572015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetyl-b-glucosaminylamine 40V, Negative-QTOFsplash10-0a4l-9100000000-9bb19f3ebf9bf6fd36f42015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetyl-b-glucosaminylamine 10V, Negative-QTOFsplash10-052b-9000000000-1e1fdde7a42a30e29a9c2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetyl-b-glucosaminylamine 20V, Negative-QTOFsplash10-066r-9860000000-cfced9bd44ba942756d12021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetyl-b-glucosaminylamine 40V, Negative-QTOFsplash10-0a4i-9000000000-3cabf052510d8612b4d42021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetyl-b-glucosaminylamine 10V, Positive-QTOFsplash10-0fk9-0190000000-1438481eb27254d558fd2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetyl-b-glucosaminylamine 20V, Positive-QTOFsplash10-0fk9-5980000000-b2a1313fa91b35c0b5752021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetyl-b-glucosaminylamine 40V, Positive-QTOFsplash10-074i-9200000000-42dcf5c50cb2d7e239de2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Feces
  • Prostate Tissue
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Prostate TissueDetected and Quantified0.5 (0.0-1.0) umol/g tissueAdult (>18 years old)Both
Prostate Cancer
details
Associated Disorders and Diseases
Disease References
Prostate cancer
  1. Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022426
KNApSAcK IDNot Available
Chemspider ID388560
KEGG Compound IDC01239
BioCyc IDN-ACETYL-BETA-GLUCOSAMINYLAMINE
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6006
PubChem Compound439454
PDB IDNot Available
ChEBI ID15947
Food Biomarker OntologyNot Available
VMH IDM02521
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in hydrolase activity
Specific function:
Cleaves the GlcNAc-Asn bond which joins oligosaccharides to the peptide of asparagine-linked glycoproteins.
Gene Name:
AGA
Uniprot ID:
P20933
Molecular weight:
37207.955
Reactions
N(4)-(beta-N-acetyl-D-glucosaminyl)-L-asparagine + Water → N-Acetyl-b-glucosaminylamine + L-Aspartic aciddetails