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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:49:00 UTC
Update Date2021-09-14 15:47:38 UTC
HMDB IDHMDB0032293
Secondary Accession Numbers
  • HMDB32293
Metabolite Identification
Common NameN-Gluconyl ethanolamine
DescriptionN-Gluconyl ethanolamine belongs to the class of organic compounds known as n-acylethanolamines. N-acylethanolamines are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of ethanolamine. N-Gluconyl ethanolamine is a roasted tasting compound. Based on a literature review very few articles have been published on N-Gluconyl ethanolamine.
Structure
Data?1563862244
Synonyms
ValueSource
Gluconic acid ethanolamineHMDB
N-(2-Hydroxyethyl) gluconamideHMDB
N-(2-Hydroxyethyl) hexonamideHMDB
2,3,4,5,6-Pentahydroxy-N-(2-hydroxyethyl)hexanimidateGenerator
Chemical FormulaC8H17NO7
Average Molecular Weight239.2231
Monoisotopic Molecular Weight239.100501903
IUPAC Name2,3,4,5,6-pentahydroxy-N-(2-hydroxyethyl)hexanamide
Traditional Name2,3,4,5,6-pentahydroxy-N-(2-hydroxyethyl)hexanamide
CAS Registry Number686298-93-1
SMILES
OCCNC(=O)C(O)C(O)C(O)C(O)CO
InChI Identifier
InChI=1S/C8H17NO7/c10-2-1-9-8(16)7(15)6(14)5(13)4(12)3-11/h4-7,10-15H,1-3H2,(H,9,16)
InChI KeyDTMUKVUZNZJFNO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-acylethanolamines. N-acylethanolamines are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of ethanolamine.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentN-acylethanolamines
Alternative Parents
Substituents
  • N-acylethanolamine
  • Fatty amide
  • Monosaccharide
  • N-acyl-amine
  • Fatty acyl
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Carboxylic acid derivative
  • Polyol
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Alcohol
  • Organic oxygen compound
  • Carbonyl group
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Source:

Biological location:

Process

Naturally occurring process:

Role

Industrial application:

Biological role:

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility105 g/LALOGPS
logP-2.7ALOGPS
logP-4.7ChemAxon
logS-0.36ALOGPS
pKa (Strongest Acidic)12ChemAxon
pKa (Strongest Basic)-2.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area150.48 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity51.28 m³·mol⁻¹ChemAxon
Polarizability22.48 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Spectral Properties

Collision Cross Sections

NameAdductTypeData SourceValueReference
DarkChem[M+H]+PredictedNot Available152.49431661259
DarkChem[M-H]-PredictedNot Available147.90231661259

Retention Indices

Underivatized

Not Available

Derivatized

DerivativeValueReference
N-Gluconyl ethanolamine,1TMS,#12310.4663https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,1TMS,#22270.6023https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,1TMS,#32297.023https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,1TMS,#42317.6807https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,1TMS,#52354.3284https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,1TMS,#62325.8276https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,1TMS,#72313.366https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#12337.0874https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#22342.0137https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#32347.6003https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#42389.683https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#52380.7778https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#62391.309https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#72325.9934https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#82320.962https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#92338.4775https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#102347.9565https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#112350.1028https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#122336.8157https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#132360.7673https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#142362.772https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#152333.6384https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#162375.8123https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#172375.4978https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#182342.1948https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#192394.4084https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#202363.6726https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TMS,#212372.223https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#12295.6157https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#22305.88https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#32344.0134https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#42325.2273https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#52380.1877https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#62316.308https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#72353.945https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#82336.9336https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#92368.7744https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#102348.9766https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#112359.461https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#122383.1775https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#132367.345https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#142404.1167https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#152404.3477https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#162327.6423https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#172339.0107https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#182335.0427https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#192330.0183https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#202339.2869https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#212347.9485https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#222331.529https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#232355.9548https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#242366.4985https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#252341.7795https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#262376.191https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#272376.0134https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#282340.5276https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#292395.1006https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#302374.0254https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#312376.21https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#322405.0955https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#332366.76https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#342379.2102https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TMS,#352373.2256https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#12233.8008https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#22274.17https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#32256.977https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#42326.7046https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#52279.1301https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#62300.3235https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#72369.1208https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#82299.2446https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#92397.2114https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#102363.646https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#112263.6963https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#122273.0679https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#132359.038https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#142298.042https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#152399.1343https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#162395.6047https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#172299.3696https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#182387.6416https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#192403.1636https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#202398.1575https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#212295.9553https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#222289.951https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#232318.7375https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#242301.6328https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#252351.7307https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#262349.2988https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#272307.161https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#282352.5078https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#292366.64https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#302362.5752https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#312325.2249https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#322347.234https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#332351.203https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#342375.0098https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TMS,#352366.0828https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#12227.248https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#22218.484https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#32314.8894https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#42233.9846https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#52339.2563https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#62318.908https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#72253.3044https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#82315.4673https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#92331.8296https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#102337.0913https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#112244.011https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#122320.1082https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#132308.1296https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#142346.695https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#152347.1626https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#162266.871https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#192309.0784https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#202309.516https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#212319.0745https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,6TMS,#12246.155https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,6TMS,#22281.2505https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,6TMS,#32274.3625https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,6TMS,#42287.1917https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,6TMS,#52285.8523https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,6TMS,#62288.9229https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,1TBDMS,#12563.7444https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,1TBDMS,#22526.7788https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,1TBDMS,#32542.4941https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,1TBDMS,#42563.688https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,1TBDMS,#52600.1184https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,1TBDMS,#62579.2207https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,1TBDMS,#72552.8083https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#12774.3992https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#22767.9607https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#32791.561https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#42824.7056https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#52806.5864https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#62847.7134https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#72732.7153https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#82756.1938https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#92786.853https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#102770.4678https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#112810.5144https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#122787.5347https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#132822.0564https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#142812.988https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#152796.133https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#162837.6382https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#172832.325https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#182814.3186https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#192841.2744https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#202828.0596https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,2TBDMS,#212813.9934https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#12886.7944https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#22936.2275https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#32984.3794https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#42946.2573https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#53020.8896https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#62918.196https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#72968.28https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#82949.0168https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#92988.6458https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#102960.0024https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#112959.676https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#123028.2725https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#132967.9556https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#143037.6406https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#153018.4292https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#162895.34https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#172928.5535https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#182914.9165https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#192951.4988https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#202971.1438https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#212980.4336https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#222979.4148https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#232980.0994https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#243010.2905https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#252988.5667https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#272994.3977https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#282984.7664https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#293006.0244https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#303009.8518https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#313005.255https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#322996.9248https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#333021.986https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#343024.0356https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,3TBDMS,#353021.6833https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#13069.6233https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#23127.4849https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#33098.3696https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#43137.5774https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#53168.6848https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#63174.0984https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#73173.4163https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#83160.0837https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#93221.5474https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#103174.5422https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#113142.131https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#123145.483https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#133176.5884https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#143155.249https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#153218.868https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#163198.3013https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#173138.8704https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#183218.3345https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#193210.5188https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#203203.8123https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#223140.4717https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#233136.7615https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#243137.8875https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#253176.5293https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#263169.757https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#273188.8599https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#303198.424https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#313192.9177https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#323204.7292https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#333205.4783https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#343210.9802https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,4TBDMS,#353215.5906https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#13313.6458https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#23329.4314https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#33334.79https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#43328.2046https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#53382.5745https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#63358.6553https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#73361.79https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#83401.9497https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#93409.297https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#103392.6067https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#113333.956https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#123385.541https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#133389.814https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#143394.7996https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#153396.053https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#193361.6045https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TBDMS,#213373.757https://arxiv.org/abs/1905.12712
N-Gluconyl ethanolamine,5TMS,#172304.5981Lange, M. and Fedorova, M. (2020) Evaluation of lipid quantification accuracy using HILIC and RPLC MS on the example of NIST SRM 1950 metabolites in human plasma. Anal. Bioanal. Chem. 412(15), 3573-3584.
N-Gluconyl ethanolamine,5TMS,#182297.47Lange, M. and Fedorova, M. (2020) Evaluation of lipid quantification accuracy using HILIC and RPLC MS on the example of NIST SRM 1950 metabolites in human plasma. Anal. Bioanal. Chem. 412(15), 3573-3584.
N-Gluconyl ethanolamine,6TMS,#72292.1099Lange, M. and Fedorova, M. (2020) Evaluation of lipid quantification accuracy using HILIC and RPLC MS on the example of NIST SRM 1950 metabolites in human plasma. Anal. Bioanal. Chem. 412(15), 3573-3584.
N-Gluconyl ethanolamine,3TBDMS,#262989.149Lange, M. and Fedorova, M. (2020) Evaluation of lipid quantification accuracy using HILIC and RPLC MS on the example of NIST SRM 1950 metabolites in human plasma. Anal. Bioanal. Chem. 412(15), 3573-3584.
N-Gluconyl ethanolamine,4TBDMS,#213127.7341Lange, M. and Fedorova, M. (2020) Evaluation of lipid quantification accuracy using HILIC and RPLC MS on the example of NIST SRM 1950 metabolites in human plasma. Anal. Bioanal. Chem. 412(15), 3573-3584.
N-Gluconyl ethanolamine,4TBDMS,#283204.3064Lange, M. and Fedorova, M. (2020) Evaluation of lipid quantification accuracy using HILIC and RPLC MS on the example of NIST SRM 1950 metabolites in human plasma. Anal. Bioanal. Chem. 412(15), 3573-3584.
N-Gluconyl ethanolamine,4TBDMS,#293202.9387Lange, M. and Fedorova, M. (2020) Evaluation of lipid quantification accuracy using HILIC and RPLC MS on the example of NIST SRM 1950 metabolites in human plasma. Anal. Bioanal. Chem. 412(15), 3573-3584.
N-Gluconyl ethanolamine,5TBDMS,#163342.812Lange, M. and Fedorova, M. (2020) Evaluation of lipid quantification accuracy using HILIC and RPLC MS on the example of NIST SRM 1950 metabolites in human plasma. Anal. Bioanal. Chem. 412(15), 3573-3584.
N-Gluconyl ethanolamine,5TBDMS,#173353.2258Lange, M. and Fedorova, M. (2020) Evaluation of lipid quantification accuracy using HILIC and RPLC MS on the example of NIST SRM 1950 metabolites in human plasma. Anal. Bioanal. Chem. 412(15), 3573-3584.
N-Gluconyl ethanolamine,5TBDMS,#183359.875Lange, M. and Fedorova, M. (2020) Evaluation of lipid quantification accuracy using HILIC and RPLC MS on the example of NIST SRM 1950 metabolites in human plasma. Anal. Bioanal. Chem. 412(15), 3573-3584.
N-Gluconyl ethanolamine,5TBDMS,#203381.3943Lange, M. and Fedorova, M. (2020) Evaluation of lipid quantification accuracy using HILIC and RPLC MS on the example of NIST SRM 1950 metabolites in human plasma. Anal. Bioanal. Chem. 412(15), 3573-3584.
Spectra

GC-MS

Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0h90-9620000000-c8a72015682a071ec3cf2017-09-01View Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (6 TMS) - 70eV, Positivesplash10-0a4i-2111498000-1d0a0b1a5e5872eb6a562017-10-06View Spectrum

LC-MS/MS

Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9130000000-4a282362efe76ac04d112016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9100000000-f94632491324b983a88d2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-9f08f148657212597f1c2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014r-6910000000-98c94844500fcc8dfdea2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-090c-9600000000-78fa364c6054ceaef1b32016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0bt9-9100000000-6f59f3a3538fe42bee152016-08-03View Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
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 IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB009493
KNApSAcK IDNot Available
Chemspider ID196803
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound226311
PDB IDNot Available
ChEBI ID166480
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). EAFUS: Everything Added to Food in the United States.. .