Record Information
Version1.0
Creation Date2016-05-19 02:18:10 UTC
Update Date2016-11-09 01:09:49 UTC
Accession NumberCHEM006831
Identification
Common NameMONOPOTASSIUM GLUTAMATE
ClassSmall Molecule
DescriptionNot Available
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Potassium (4S)-4-amino-4-carboxybutanoic acidGenerator
Glutamic acid, (D)-isomerMeSH
L Glutamic acidMeSH
Glutamic acidMeSH
Glutaminic acidsMeSH
Aluminum L glutamateMeSH
L-GlutamateMeSH
L-Glutamic acidMeSH
Aluminum L-glutamateMeSH
GlutamateMeSH
GlutamatesMeSH
Potassium glutamateMeSH
D GlutamateMeSH
Glutamate, potassiumMeSH
Glutamic acid derivativesMeSH
Glutamic acidsMeSH
L GlutamateMeSH
D-GlutamateMeSH
L-Glutamate, aluminumMeSH
Chemical FormulaC5H8KNO4
Average Molecular Mass185.220 g/mol
Monoisotopic Mass185.009 g/mol
CAS Registry Number19473-49-5
IUPAC Namepotassium (4S)-4-amino-4-carboxybutanoate
Traditional Namepotassium (4S)-4-amino-4-carboxybutanoate
SMILES[K+].[H][C@](N)(CCC([O-])=O)C(O)=O
InChI IdentifierInChI=1S/C5H9NO4.K/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1
InChI KeyHQEROMHPIOLGCB-DFWYDOINSA-M
Chemical Taxonomy
Description belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentGlutamic acid and derivatives
Alternative Parents
Substituents
  • Glutamic acid or derivatives
  • Alpha-amino acid
  • L-alpha-amino acid
  • Amino fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Fatty acyl
  • Carboxylic acid salt
  • Amino acid
  • Carboxylic acid
  • Organic alkali metal salt
  • Organic nitrogen compound
  • Organic potassium salt
  • Organic salt
  • Organic zwitterion
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility436 g/LALOGPS
logP-2.7ALOGPS
logP-3.2ChemAxon
logS0.37ALOGPS
pKa (Strongest Acidic)1.88ChemAxon
pKa (Strongest Basic)9.54ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area103.45 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity42.12 m³·mol⁻¹ChemAxon
Polarizability12.95 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0f89-2900000000-4350fb7eb3b17fd3c4f6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0khl-9800000000-a8ef67297120a1f26fa5Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9000000000-bdb6ceebee26f6ed0a9cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-514e3fd614d6ed1f804cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-2900000000-34d53b1b6f90c42718ceSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0kn9-9200000000-92f60c4b8278ad56eb9fSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID62735
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available