MONOSODIUM GLUTAMATE (CHEM006832)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 02:18:12 UTC
Update Date2016-11-09 01:09:49 UTC
Accession NumberCHEM006832
Identification
Common NameMONOSODIUM GLUTAMATE
ClassSmall Molecule
DescriptionAn optically active form of monosodium L-glutamate having L-configuration.
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Glutamate monosodium saltChEBI
Glutamate sodiumChEBI
Glutamic acid, monosodium saltChEBI
Glutammato monosodicoChEBI
L(+) Sodium glutamateChEBI
MonosodioglutammatoChEBI
Monosodium glutamateChEBI
MSGChEBI
Natrium L-hydrogenglutamatChEBI
NatriumglutaminatChEBI
Sodium (2S)-2-ammoniopentanedioateChEBI
Sodium glutamateChEBI
Sodium hydrogen glutamateChEBI
Sodium L-glutamateChEBI
Glutamic acid monosodium saltGenerator
Glutamic acid sodiumGenerator
Glutamate, monosodium saltGenerator
L(+) Sodium glutamic acidGenerator
Monosodium glutamic acidGenerator
Sodium (2S)-2-ammoniopentanedioic acidGenerator
Sodium glutamic acidGenerator
Sodium hydrogen glutamic acidGenerator
Sodium L-glutamic acidGenerator
Monosodium L-glutamic acidGenerator
Sodium;(2S)-2-amino-5-hydroxy-5-oxopentanoic acidGenerator
VestinMeSH
Glutamate, sodiumMeSH
AccentMeSH
Chemical FormulaC5H8NNaO4
Average Molecular Mass169.112 g/mol
Monoisotopic Mass169.035 g/mol
CAS Registry Number142-47-2
IUPAC Namesodium (4S)-4-amino-4-carboxybutanoate
Traditional Namesodium (4S)-4-amino-4-carboxybutanoate
SMILES[Na+].[H][C@](N)(CCC([O-])=O)C(O)=O
InChI IdentifierInChI=1S/C5H9NO4.Na/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 KeyLPUQAYUQRXPFSQ-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 sodium 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 Descriptors
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 Solubility316 g/LALOGPS
logP-2.7ALOGPS
logP-3.2ChemAxon
logS0.27ALOGPS
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, Positivesplash10-0ff0-2900000000-e15e176d7377b102d659Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0kh9-9800000000-ede5c5d9540a416b8554Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9000000000-1a460e9bd5a3e5cf346eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-a03286322ae3ff1ce57eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-2900000000-8adc6028b2407007b6acSpectrum
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 LinkMonosodium_glutamate
Chemspider IDNot Available
ChEBI ID64243
PubChem Compound ID85314
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=21054690
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=21925279
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=22008743
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=22104770
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=22154980
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=22204889
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=22222358
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=22223845
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=22245354
10. https://www.ncbi.nlm.nih.gov/pubmed/?term=22248457
11. https://www.ncbi.nlm.nih.gov/pubmed/?term=22286833
12. https://www.ncbi.nlm.nih.gov/pubmed/?term=22293291
13. https://www.ncbi.nlm.nih.gov/pubmed/?term=22307498
14. https://www.ncbi.nlm.nih.gov/pubmed/?term=22346139
15. https://www.ncbi.nlm.nih.gov/pubmed/?term=22415589