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Showing NP-Card for Monosodium glutamate (NP0336594)

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Record Information
Version2.0
Created at2024-09-11 07:00:32 UTC
Updated at2024-09-11 07:00:32 UTC
NP-MRD IDNP0336594
Secondary Accession NumbersNone
Natural Product Identification
Common NameMonosodium glutamate
Description Monosodium glutamate was first documented in 2024 (PMID: 39280321). Based on a literature review a significant number of articles have been published on Monosodium glutamate (PMID: 39280275) (PMID: 39275014) (PMID: 39273230) (PMID: 39269502) (PMID: 39265305) (PMID: 39254357).
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0336594 (Monosodium glutamate)


  Mrv2104 05262309322D          

 11  9  0  0  0  0            999 V2000
   -2.0141   -0.1708    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5841   -0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8459   -0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5607    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2758   -0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.0676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5841   -0.9973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5607    1.0676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2758   -1.0676    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
M  CHG  2   1  -1  11   1
M  END
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3D MOL for NP0336594 (Monosodium glutamate)

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3D SDF for NP0336594 (Monosodium glutamate)

  Mrv2104 05262309322D          

 11  9  0  0  0  0            999 V2000
   -2.0141   -0.1708    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5841   -0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8459   -0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5607    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2758   -0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.0676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5841   -0.9973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5607    1.0676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2758   -1.0676    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
M  CHG  2   1  -1  11   1
M  END
> <DATABASE_ID>
NP0336594

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Na+].NC(CCC(O)=O)C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1/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_KEY>
LPUQAYUQRXPFSQ-UHFFFAOYNA-M

> <FORMULA>
C5H8NNaO4

> <MOLECULAR_WEIGHT>
169.112

> <EXACT_MASS>
169.03510202

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
13.024043159170569

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium 2-amino-4-carboxybutanoate

> <JCHEM_LOGP>
-3.241447075983049

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
4.27124634014693

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8777772810395936

> <JCHEM_PKA_STRONGEST_BASIC>
9.536217151721162

> <JCHEM_POLAR_SURFACE_AREA>
103.44999999999999

> <JCHEM_REFRACTIVITY>
42.1248

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
monosodium glutamate

> <JCHEM_VEBER_RULE>
0

$$$$

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3D-SDF for NP0336594 (Monosodium glutamate)
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PDB for NP0336594 (Monosodium glutamate)
HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  O   UNK     0      -3.760  -0.319   0.000  0.00  0.00           O-1
HETATM    2  C   UNK     0      -2.425   0.450   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.090  -0.319   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.245   0.450   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.579  -0.319   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.913   0.450   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.248  -0.319   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -2.425   1.993   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      -1.090  -1.862   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0       2.913   1.993   0.000  0.00  0.00           O+0
HETATM   11 Na   UNK     0      -4.248  -1.993   0.000  0.00  0.00          Na+1
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6                                                            
CONECT    8    2                                                            
CONECT    9    3                                                            
CONECT   10    6                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   18    0
END

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3D PDB for NP0336594 (Monosodium glutamate)
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SMILES for NP0336594 (Monosodium glutamate)
[Na+].NC(CCC(O)=O)C([O-])=O
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INCHI for NP0336594 (Monosodium glutamate)
InChI=1/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
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View in JSmol
Synonyms
ValueSource
Monosodium glutamic acidGenerator
Chemical FormulaC5H8NNaO4
Average Mass169.1120 Da
Monoisotopic Mass169.03510 Da
IUPAC Namesodium 2-amino-4-carboxybutanoate
Traditional Namemonosodium glutamate
CAS Registry NumberNot Available
SMILES
[Na+].NC(CCC(O)=O)C([O-])=O
InChI Identifier
InChI=1/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-UHFFFAOYNA-M
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-3.2ChemAxon
pKa (Strongest Acidic)1.88ChemAxon
pKa (Strongest Basic)9.54ChemAxon
Physiological Charge0ChemAxon
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 FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMonosodium glutamate  
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Maulina N, Zachreini I, Gholib G, Suwandi A, Akmal M: Black garlic exhibited hepatoprotective effect against monosodium glutamate-induced hepatotoxicity in animal model. Narra J. 2024 Aug;4(2):e799. doi: 10.52225/narra.v4i2.799. Epub 2024 Jun 21. [PubMed:39280321  ] 
  2. Bani II, Zulkarnain Z, Gholib G, Syahrizal D, Nugraha TP, Ramadhan A, Akmal M, Maulina N: Effect of black garlic (Allium sativum) on gonadosomatic index, follicle-stimulating hormone level and spermatozoa quality: A study in monosodium glutamate-exposed rat model. Narra J. 2024 Aug;4(2):e617. doi: 10.52225/narra.v4i2.617. Epub 2024 Jul 17. [PubMed:39280275  ] 
  3. Li Y, Tang X, Yang P, Zhang Y, Liu J: Synthesis and Kinetics of CO(2)-Responsive Gemini Surfactants. Molecules. 2024 Sep 3;29(17):4166. doi: 10.3390/molecules29174166. [PubMed:39275014  ] 
  4. Mokhtar HI, Abd El-Fadeal NM, El-Sayed RM, Hegazy A, El-Kherbetawy MK, Hamad AG, ElSayed MH, Zaitone SA: Computational Analysis and Experimental Data Exploring the Role of Hesperetin in Ameliorating ADHD and SIRT1/Nrf2/Keap1/OH-1 Signaling. Int J Mol Sci. 2024 Aug 27;25(17):9284. doi: 10.3390/ijms25179284. [PubMed:39273230  ] 
  5. Wang L, Jia M, Gao D, Li H: Hybrid substrate-based pH autobuffering GABA fermentation by Levilactobacillus brevis CD0817. Bioprocess Biosyst Eng. 2024 Sep 13. doi: 10.1007/s00449-024-03088-z. [PubMed:39269502  ] 
  6. Gu Y, Zhou X, Niu Y, Zhang J, Sun B, Liu Z, Mao X, Zhang Y, Li K, Zhang Y: Screening and identification of novel umami peptides from yeast proteins: Insights into their mechanism of action on receptors T1R1/T1R3. Food Chem. 2024 Sep 4;463(Pt 2):141138. doi: 10.1016/j.foodchem.2024.141138. [PubMed:39265305  ] 
  7. Berni Canani R, Carucci L, Coppola S, D'Auria E, O'Mahony L, Roth-Walter F, Vassilopolou E, Agostoni C, Agache I, Akdis C, De Giovanni Di Santa Severina F, Faketea G, Greenhawt M, Hoffman K, Hufnagel K, Meyer R, Milani GP, Nowak-Wegrzyn A, Nwaru B, Padua I, Paparo L, Diego P, Reese I, Roduit C, Smith PK, Santos A, Untersmayr E, Vlieg-Boerstra B, Venter C: Ultra-processed foods, allergy outcomes and underlying mechanisms in children: An EAACI task force report. Pediatr Allergy Immunol. 2024 Sep;35(9):e14231. doi: 10.1111/pai.14231. [PubMed:39254357  ] 
  8. Sukmak M, Kyaw TS, Nahok K, Sharma A, Silsirivanit A, Lert-Itthiporn W, Japrung D, Pinlaor S, Anutrakulchai S, Selmi C, Slupsky CM, Hammock BD, Cha'on U: Urinary metabolic profile and its predictive indexes after MSG consumption in rat. PLoS One. 2024 Sep 3;19(9):e0309728. doi: 10.1371/journal.pone.0309728.  eCollection 2024. [PubMed:39226266  ] 
  9. Lee JG, Li Y, Kim NJ, Jang HB, Yang CH, Kim HY, Yoon SS, Chang S, Jeong SJ, Kim SC, Sa BS, Lee BH: A synergistic effect of herb and acupuncture on the methamphetamine. Integr Med Res. 2024 Sep;13(3):101052. doi: 10.1016/j.imr.2024.101052. Epub 2024  Jun 1. [PubMed:39219986  ] 
  10. Adebayo OL, Agu VA, Idowu GA, Ezejiaku BC, Atunnise AK: The Role of Vitamin C on ATPases Activities in Monosodium Glutamate-Induced Oxidative Stress in Rat Striatum and Cerebellum. Neurotox Res. 2024 Aug 30;42(5):40. doi: 10.1007/s12640-024-00719-x. [PubMed:39212807  ] 
  11. Shehab NG, Omolaoye TS, Du Plessis SS, Rawat SS, Naidoo N, Abushawish KY, Ahmed A, Alaa B, Ihsan H, Abdelhalim M, Ayman M, El Nebrisi E: Phytochemical Evaluation of Lepidium meyenii, Trigonella foenum-graecum, Spirulina platensis, and Tribulus arabica, and Their Potential Effect on Monosodium Glutamate Induced Male Reproductive Dysfunction in Adult Wistar Rats. Antioxidants (Basel). 2024 Aug 2;13(8):939. doi: 10.3390/antiox13080939. [PubMed:39199185  ] 
  12. Sun X, Cai Y, Wang D: Enhanced Poly-gamma-Glutamic Acid Production by a Newly Isolated Bacillus halotolerans F29. J Microbiol. 2024 Aug;62(8):695-707. doi: 10.1007/s12275-024-00153-w. Epub 2024  Aug 20. [PubMed:39164498  ] 
  13. Li C, Sheng M, Zhang M, Rogers KM, Nie J, Shao S, Xiao J, Yuan Y: Similarity recognition approach to identify zero-added MSG soy sauce using stable isotopes and amino acid profiles. Food Chem. 2024 Dec 15;461:140859. doi: 10.1016/j.foodchem.2024.140859. Epub 2024  Aug 12. [PubMed:39163723  ] 
  14. Ahangari H, Bahramian B, Khezerlou A, Tavassoli M, Kiani-Salmi N, Tarhriz V, Ehsani A: Association between monosodium glutamate consumption with changes in gut microbiota and related metabolic dysbiosis-A systematic review. Food Sci Nutr. 2024 Apr 29;12(8):5285-5295. doi: 10.1002/fsn3.4198. eCollection  2024 Aug. [PubMed:39139924  ] 
  15. Thai TH, Nguyen TM, Truong MD, Phan TTT, Le DT, Doan HN, Nguyen TH: Fabrication of 3D PCL/PVP scaffolds using monosodium glutamate as porogen by solvent casting/particulate leaching method for oral and maxillofacial bone tissue engineering. Biomed Mater. 2024 Aug 13;19(5). doi: 10.1088/1748-605X/ad6ac5. [PubMed:39094613  ]