An official website of the United States government

potassium;(2S)-2-aminopentanedioate;hydron;hydrate

PubChem CID
56844440
Structure
potassium;(2S)-2-aminopentanedioate;hydron;hydrate_small.png
potassium;(2S)-2-aminopentanedioate;hydron;hydrate_3D_Structure.png
Molecular Formula
Synonyms
  • Potassium glutamate
  • Monopotassium L-glutamate
  • GLUTAMATE POTASSIUM
  • B5ZC7FHO6O
  • MONOPOTASSIUM GLUTAMATE
Molecular Weight
203.23 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
  • Create:
    2012-03-22
  • Modify:
    2025-01-11
Description
A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.

1 Structures

1.1 2D Structure

Chemical Structure Depiction
potassium;(2S)-2-aminopentanedioate;hydron;hydrate.png

1.2 3D Conformer

3D Conformer of Parent

2 Biologic Description

SVG Image
SVG Image
IUPAC Condensed
H-Glu-OH.K+.H2O
Sequence
E
IUPAC
L-glutamic acid; hydrate; potassium salt

3 Names and Identifiers

3.1 Computed Descriptors

3.1.1 IUPAC Name

potassium;(2S)-2-aminopentanedioate;hydron;hydrate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)

3.1.2 InChI

InChI=1S/C5H9NO4.K.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2/q;+1;/p-1/t3-;;/m0../s1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)

3.1.3 InChIKey

XIBUKSQTWSKJMQ-QTNFYWBSSA-M
Computed by InChI 1.0.5 (PubChem release 2019.06.18)

3.1.4 SMILES

[H+].C(CC(=O)[O-])[C@@H](C(=O)[O-])N.O.[K+]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

3.2 Molecular Formula

C5H10KNO5
Computed by PubChem 2.1 (PubChem release 2019.06.18)

3.3 Other Identifiers

3.3.1 CAS

6382-01-0

3.3.2 European Community (EC) Number

243-094-0

3.3.3 UNII

3.3.4 Wikidata

3.3.5 Wikipedia

3.4 Synonyms

3.4.1 MeSH Entry Terms

  • Aluminum L Glutamate
  • Aluminum L-Glutamate
  • D Glutamate
  • D-Glutamate
  • Glutamate
  • Glutamate, Potassium
  • Glutamic Acid
  • Glutamic Acid, (D)-Isomer
  • L Glutamate
  • L Glutamic Acid
  • L-Glutamate
  • L-Glutamate, Aluminum
  • L-Glutamic Acid
  • Potassium Glutamate

3.4.2 Depositor-Supplied Synonyms

4 Chemical and Physical Properties

4.1 Computed Properties

Property Name
Molecular Weight
Property Value
203.23 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
203.01960390 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
203.01960390 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
107 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
12
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
134
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
4
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2012.02.08)

4.2 Experimental Properties

4.2.1 Physical Description

White, practically odourless crystals or crystalline powder
White crystalline solid; [Sigma-Aldrich MSDS]

4.2.2 Solubility

Freely soluble in water; practically insoluble in ethanol or ether

4.2.3 Optical Rotation

[α]D/20 between + 22,5° and + 24,0°; (10 % solution (anhydrous basis) in 2N HCl, 200 mm tube)

4.2.4 pH

Between 6,7 and 7,3 (2 % solution)

4.3 Chemical Classes

Biological Agents -> Amino Acids and Derivatives

4.3.1 Food Additives

FLAVOR ENHANCER, NUTRIENT SUPPLEMENT -> FDA Substance added to food

5 Spectral Information

5.1 1D NMR Spectra

5.1.1 1H NMR Spectra

Instrument Name
Varian CFT-20
Copyright
Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

5.1.2 13C NMR Spectra

Source of Sample
Fluka AG, Buchs, Switzerland
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

5.2 IR Spectra

5.2.1 FTIR Spectra

Technique
KBr WAFER
Source of Sample
Fluka Chemie AG, Buchs, Switzerland
Catalog Number
49601
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

7 Chemical Vendors

8 Food Additives and Ingredients

8.1 FDA Substances Added to Food

Used for (Technical Effect)
FLAVOR ENHANCER, NUTRIENT SUPPLEMENT
Document Number (21 eCFR)

9 Use and Manufacturing

9.1 Uses

Sources/Uses
Used as a flavor enhancer; [FDA]

9.1.1 Use Classification

Food additives

10 Safety and Hazards

10.1 Hazards Identification

10.1.1 GHS Classification

Note
This chemical does not meet GHS hazard criteria for 100% (23 of 23) of all reports. Pictograms displayed are for < 0.1% (0 of 23) of reports that indicate hazard statements.
GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 23 of 23 companies. For more detailed information, please visit ECHA C&L website.

ECHA C&L Notifications Summary

Aggregated GHS information provided per 23 reports by companies from 1 notifications to the ECHA C&L Inventory.

Reported as not meeting GHS hazard criteria per 23 of 23 reports by companies. For more detailed information, please visit ECHA C&L website.

There are 0 notifications provided by 0 of 23 reports by companies with hazard statement code(s).

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

10.1.2 Hazard Classes and Categories

Not Classified

10.1.3 Hazards Summary

Human ingestion of 57 mg/kg causes headache; [RTECS] May cause irritation; [Sigma-Aldrich MSDS]

11 Literature

11.1 Consolidated References

11.2 NLM Curated PubMed Citations

11.3 Chemical Co-Occurrences in Literature

11.4 Chemical-Gene Co-Occurrences in Literature

11.5 Chemical-Disease Co-Occurrences in Literature

12 Patents

12.1 Chemical Co-Occurrences in Patents

12.2 Chemical-Disease Co-Occurrences in Patents

12.3 Chemical-Gene Co-Occurrences in Patents

13 Classification

13.1 MeSH Tree

13.2 UN GHS Classification

14 Information Sources

  1. EU Food Improvement Agents
  2. European Chemicals Agency (ECHA)
    LICENSE
    Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
    https://echa.europa.eu/web/guest/legal-notice
  3. Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
    LICENSE
    Copyright (c) 2022 Haz-Map(R). All rights reserved. Unless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.
    https://haz-map.com/About
    Monopotassium glutamate
    https://haz-map.com/Agents/15173
  4. FDA Global Substance Registration System (GSRS)
    LICENSE
    Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
    https://www.fda.gov/about-fda/about-website/website-policies#linking
  5. FDA Substances Added to Food
    LICENSE
    Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
    https://www.fda.gov/about-fda/about-website/website-policies#linking
  6. SpectraBase
    L-GLUTAMIC ACID, 5-POTASSIUM SALT, HYDRATE
    https://spectrabase.com/spectrum/CdWjpLyQ4xa
    L-glutamic acid, 5-potassium salt, hydrate
    https://spectrabase.com/spectrum/C1OaM4N86o1
    L-GLUTAMIC ACID, 5-POTASSIUM SALT, HYDRATE
    https://spectrabase.com/spectrum/GfFZnfGcWfE
  7. Wikidata
    Potassium 5-oxido-5-oxonorvaline--water (1/1/1)
    https://www.wikidata.org/wiki/Q82966339
  8. Wikipedia
  9. Medical Subject Headings (MeSH)
    LICENSE
    Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.
    https://www.nlm.nih.gov/copyright.html
  10. PubChem
  11. GHS Classification (UNECE)
CONTENTS