Record Information
Version1.0
Creation date2010-04-08 22:09:21 UTC
Update date2018-05-28 23:29:04 UTC
Primary IDFDB010881
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameMonosodium glutamate
DescriptionFood flavour enhancer Monosodium glutamate, also known as sodium glutamate or MSG, is the sodium salt of glutamic acid, one of the most abundant naturally occurring non-essential amino acids. It has been classified by the U.S. Food and Drug Administration as generally recognized as safe (GRAS) and by the European Union as a food additive. MSG has the HS code 29224220 and the E number E621. The glutamate of MSG confers the same umami taste of glutamate from other foods, being chemically identical. Industrial food manufacturers market and use MSG as a flavor enhancer because it balances, blends and rounds the total perception of other tastes. Trade names of monosodium glutamate include AJI-NO-MOTO®, Vetsin, and Ac'cent. [Wikipedia].
CAS Number142-47-2
Structure
Thumb
Synonyms
SynonymSource
MSGChEBI
Sodium 2-ammoniopentanedioateChEBI
Sodium glutamateChEBI
Sodium 2-ammoniopentanedioic acidGenerator
Sodium glutamic acidGenerator
Monosodium glutamic acidGenerator
α-monosodium glutamatebiospider
Accentdb_source
Ajinomotodb_source
Chinese seasoningdb_source
E621db_source
Glutacyldb_source
Glutamic acid, monosodium saltbiospider
Glutamic acid, monosodium salt, l-biospider
Glutamic acid, monosodium salt, l-(+)-biospider
Glutamic acid, sodium saltbiospider
Glutavenedb_source
L-(+)-sodium glutamatebiospider
L-glutamic acid, monosodium saltbiospider
L-glutamic acid, sodium saltbiospider
Monosodium glutamatedb_source
Monosodium l-glutamatebiospider
RL-50db_source
Sodium hydrogen glutamatebiospider
Sodium l-glutamatebiospider
Vetsinbiospider
ZESTbiospider
Predicted Properties
PropertyValueSource
Water Solubility331 g/LALOGPS
logP-2.8ALOGPS
logP-3.2ChemAxon
logS0.29ALOGPS
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
Polarizability13.02 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC5H8NNaO4
IUPAC namesodium 2-amino-4-carboxybutanoate
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
InChI KeyLPUQAYUQRXPFSQ-UHFFFAOYSA-M
Isomeric SMILES[Na+].NC(CCC(O)=O)C([O-])=O
Average Molecular Weight169.1111
Monoisotopic Molecular Weight169.035102424
Classification
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
  • 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
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 35.51%; H 4.77%; N 8.28%; Na 13.59%; O 37.84%DFC
Melting Point225 °C, 498 K, 437 °F
Boiling PointNot Available
Experimental Water Solubility385 mg/mL at 25 oCYOSHIDA,T (1978)
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical Rotation[a]20D -4 (c, 1.2 in H2O)DFC
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0f89-1900000000-e3a2a410c96331573116JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0gx9-7900000000-ba372203794267af9e56JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a6r-9000000000-8ebfd167fedd1702a1b6JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-2d8b859bda0820fbe946JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-3900000000-735387a4a5e994118a03JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-05fu-9200000000-d5e2ce59d79ff3df1c03JSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID24192250
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDHHT64-G:FRZ69-L
EAFUS ID2603
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1033031
SuperScent IDNot Available
Wikipedia IDMonosodium_glutamate
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
bland
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
peptone
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference