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L-Aspartic acid potassium salt

PubChem CID
23672742
Structure
L-Aspartic acid potassium salt_small.png
L-Aspartic acid potassium salt_3D_Structure.png
Molecular Formula
Synonyms
  • L-Aspartic acid potassium salt
  • 1115-63-5
  • Potassium L-aspartate
  • Potassium hydrogen aspartate
  • Aspara K
Molecular Weight
171.19 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2008-02-05
  • Modify:
    2025-01-11
Description
One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.

1 Structures

1.1 2D Structure

Chemical Structure Depiction
L-Aspartic acid potassium salt.png

1.2 3D Conformer

3D Conformer of Parent

2 Biologic Description

SVG Image
SVG Image
IUPAC Condensed
H-Asp-OH.K+
Sequence
D
IUPAC
L-aspartic acid potassium salt

3 Names and Identifiers

3.1 Computed Descriptors

3.1.1 IUPAC Name

potassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

3.1.2 InChI

InChI=1S/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1/t2-;/m0./s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

3.1.3 InChIKey

TXXVQZSTAVIHFD-DKWTVANSSA-M
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

3.1.4 SMILES

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

3.2 Molecular Formula

C4H6KNO4
Computed by PubChem 2.2 (PubChem release 2021.10.14)

3.3 Other Identifiers

3.3.1 CAS

1115-63-5
7259-25-8
14434-35-6

3.3.3 Deprecated CAS

26639-59-8

3.3.4 European Community (EC) Number

3.3.5 DrugBank ID

3.3.6 KEGG ID

3.3.7 NCI Thesaurus Code

3.3.8 RXCUI

3.3.9 Wikidata

3.4 Synonyms

3.4.1 MeSH Entry Terms

  • (+-)-Aspartic Acid
  • (R,S)-Aspartic Acid
  • Ammonium Aspartate
  • Aspartate
  • Aspartate Magnesium Hydrochloride
  • Aspartate, Ammonium
  • Aspartate, Calcium
  • Aspartate, Dipotassium
  • Aspartate, Disodium
  • Aspartate, Magnesium
  • Aspartate, Monopotassium
  • Aspartate, Monosodium
  • Aspartate, Potassium
  • Aspartate, Sodium
  • Aspartic Acid
  • Aspartic Acid, Ammonium Salt
  • Aspartic Acid, Calcium Salt
  • Aspartic Acid, Dipotassium Salt
  • Aspartic Acid, Disodium Salt
  • Aspartic Acid, Hydrobromide
  • Aspartic Acid, Hydrochloride
  • Aspartic Acid, Magnesium (1:1) Salt, Hydrochloride, Trihydrate
  • Aspartic Acid, Magnesium (2:1) Salt
  • Aspartic Acid, Magnesium-Potassium (2:1:2) Salt
  • Aspartic Acid, Monopotassium Salt
  • Aspartic Acid, Monosodium Salt
  • Aspartic Acid, Potassium Salt
  • Aspartic Acid, Sodium Salt
  • Calcium Aspartate
  • Dipotassium Aspartate
  • Disodium Aspartate
  • L Aspartate
  • L Aspartic Acid
  • L-Aspartate
  • L-Aspartic Acid
  • Magnesiocard
  • Magnesium Aspartate
  • Mg-5-Longoral
  • Monopotassium Aspartate
  • Monosodium Aspartate
  • Potassium Aspartate
  • Sodium Aspartate

3.4.2 Depositor-Supplied Synonyms

4 Chemical and Physical Properties

4.1 Computed Properties

Property Name
Molecular Weight
Property Value
171.19 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
170.99338916 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
170.99338916 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
103 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
10
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
137
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
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
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

4.2 Chemical Classes

4.2.1 Cosmetics

Cosmetic ingredients (Potassium Aspartate) -> CIR (Cosmetic Ingredient Review)
Skin conditioning
S13 | EUCOSMETICS | Combined Inventory of Ingredients Employed in Cosmetic Products (2000) and Revised Inventory (2006) | DOI:10.5281/zenodo.2624118

5 Spectral Information

5.1 1D NMR Spectra

5.1.1 1H NMR Spectra

1 of 2
Instrument Name
Varian CFT-20
Copyright
Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail
2 of 2
Source of Spectrum
Sigma-Aldrich Co. LLC.
Source of Sample
Sigma-Aldrich Co. LLC.
Catalog Number
411493
Copyright
Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

5.1.2 13C NMR Spectra

1 of 2
Source of Sample
Fluka AG, Buchs, Switzerland
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail
2 of 2
Source of Spectrum
Sigma-Aldrich Co. LLC.
Source of Sample
Sigma-Aldrich Co. LLC.
Catalog Number
411493
Copyright
Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

5.2 IR Spectra

5.2.1 FTIR Spectra

Technique
FILM (CAST FROM H2O)
Source of Sample
Fluka Chemie AG, Buchs, Switzerland
Catalog Number
11230
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

5.2.2 ATR-IR Spectra

Instrument Name
Bio-Rad FTS
Technique
ATR-Neat (DuraSamplIR II)
Source of Spectrum
Forensic Spectral Research
Source of Sample
Spectrum Chemical Manufacturing Corp.
Catalog Number
A3204
Lot Number
WA1576
Copyright
Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

7 Chemical Vendors

8 Drug and Medication Information

8.1 FDA National Drug Code Directory

9 Use and Manufacturing

9.1 Uses

Cosmetic Ingredient Review Link
CIR ingredient: Potassium Aspartate

9.1.1 Use Classification

Cosmetics -> Skin conditioning
S13 | EUCOSMETICS | Combined Inventory of Ingredients Employed in Cosmetic Products (2000) and Revised Inventory (2006) | DOI:10.5281/zenodo.2624118

9.1.2 Household Products

Household & Commercial/Institutional Products

Information on 1 consumer products that contain Potassium aspartate in the following categories is provided:

• Personal Care

9.2 General Manufacturing Information

EPA TSCA Commercial Activity Status

10 Safety and Hazards

10.1 Hazards Identification

10.1.1 GHS Classification

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

10.1.2 Hazard Classes and Categories

Not Classified

10.2 Regulatory Information

The Australian Inventory of Industrial Chemicals
New Zealand EPA Inventory of Chemical Status
L-Aspartic acid, monopotassium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
New Zealand EPA Inventory of Chemical Status
Potassium Aspartate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

10.3 Other Safety Information

Chemical Assessment

IMAP assessments - L-Aspartic acid, monopotassium salt: Environment tier I assessment

Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

11 Toxicity

11.1 Toxicological Information

11.1.1 Acute Effects

12 Literature

12.1 Consolidated References

12.2 NLM Curated PubMed Citations

12.3 Springer Nature References

12.4 Chemical Co-Occurrences in Literature

12.5 Chemical-Gene Co-Occurrences in Literature

12.6 Chemical-Disease Co-Occurrences in Literature

13 Patents

13.1 Depositor-Supplied Patent Identifiers

13.2 WIPO PATENTSCOPE

13.3 Chemical Co-Occurrences in Patents

13.4 Chemical-Disease Co-Occurrences in Patents

13.5 Chemical-Gene Co-Occurrences in Patents

14 Classification

14.1 MeSH Tree

14.2 ChemIDplus

14.3 UN GHS Classification

14.4 NORMAN Suspect List Exchange Classification

14.5 Consumer Product Information Database Classification

14.6 EPA TSCA and CDR Classification

15 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
  2. ChemIDplus
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  3. DrugBank
    LICENSE
    Creative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)
    https://www.drugbank.ca/legal/terms_of_use
  4. EPA Chemicals under the TSCA
    L-Aspartic acid, potassium salt (1:1)
    https://www.epa.gov/chemicals-under-tsca
    EPA TSCA Classification
    https://www.epa.gov/tsca-inventory
  5. 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
  6. New Zealand Environmental Protection Authority (EPA)
    LICENSE
    This work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.
    https://www.epa.govt.nz/about-this-site/general-copyright-statement/
  7. Consumer Product Information Database (CPID)
    LICENSE
    Copyright (c) 2024 DeLima Associates. All rights reserved. Unless otherwise indicated, all materials from CPID are copyrighted by DeLima Associates. 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://www.whatsinproducts.com/contents/view/1/6
    Consumer Products Category Classification
    https://www.whatsinproducts.com/
  8. Cosmetic Ingredient Review (CIR)
  9. NORMAN Suspect List Exchange
    LICENSE
    Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0
    https://creativecommons.org/licenses/by/4.0/
    NORMAN Suspect List Exchange Classification
    https://www.norman-network.com/nds/SLE/
  10. KEGG
    LICENSE
    Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license
    https://www.kegg.jp/kegg/legal.html
  11. National Drug Code (NDC) Directory
    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
  12. NCI Thesaurus (NCIt)
    LICENSE
    Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.
    https://www.cancer.gov/policies/copyright-reuse
  13. NLM RxNorm Terminology
    LICENSE
    The RxNorm Terminology is created by the National Library of Medicine (NLM) and is in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from NLM. Credit to the U.S. National Library of Medicine as the source is appreciated but not required. The full RxNorm dataset requires a free license.
    https://www.nlm.nih.gov/research/umls/rxnorm/docs/termsofservice.html
  14. SpectraBase
    L-aspartic acid, 4-potassium salt
    https://spectrabase.com/spectrum/7FS00ooX2TD
    L-Aspartic acid monopotassium salt
    https://spectrabase.com/spectrum/JIuSTPFuUDO
    L-ASPARTIC ACID, 4-POTASSIUM SALT
    https://spectrabase.com/spectrum/CkxBypllYAu
    L-ASPARTIC ACID, 4-POTASSIUM SALT
    https://spectrabase.com/spectrum/60pttnAQHNo
    L-Aspartic acid monopotassium salt
    https://spectrabase.com/spectrum/5AJSgMZreyb
    L-Aspartic acid potassium salt
    https://spectrabase.com/spectrum/I9mmLL7Wany
  15. Springer Nature
  16. Wikidata
    L-Aspartic acid potassium salt
    https://www.wikidata.org/wiki/Q72443966
  17. 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
  18. PubChem
  19. GHS Classification (UNECE)
  20. PATENTSCOPE (WIPO)
CONTENTS