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Aspartate potassium

PubChem CID
71586907
Structure
Aspartate potassium_small.png
Aspartate potassium_3D_Structure.png
Molecular Formula
Synonyms
  • Aspartate potassium
  • Potassium aspartate
  • L-Aspartate potassium
  • UNII-OC4598NZEQ
  • OC4598NZEQ
Molecular Weight
360.40 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2013-07-08
  • Modify:
    2025-01-18
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
Aspartate potassium.png

1.2 3D Conformer

3D Conformer of Parent

2 Biologic Description

SVG Image
SVG Image
IUPAC Condensed
H-Asp-OH.H-Asp-OH.2K+.H2O
IUPAC
L-aspartic acid compound with L-aspartic acid; hydrate; potassium salt

3 Names and Identifiers

3.1 Computed Descriptors

3.1.1 IUPAC Name

dipotassium;(2S)-2-aminobutanedioate;hydron;hydrate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

3.1.2 InChI

InChI=1S/2C4H7NO4.2K.H2O/c2*5-2(4(8)9)1-3(6)7;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;;1H2/q;;2*+1;/p-2/t2*2-;;;/m00.../s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

3.1.3 InChIKey

YKZPPPNXRZHVGX-PXYKVGKMSA-L
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

3.1.4 SMILES

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

3.2 Molecular Formula

C8H14K2N2O9
Computed by PubChem 2.2 (PubChem release 2021.10.14)

3.3 Other Identifiers

3.3.1 CAS

7259-25-8
14434-35-6

3.3.2 UNII

3.3.3 DrugBank ID

3.3.4 KEGG ID

3.3.5 NCI Thesaurus Code

3.3.6 RXCUI

3.3.7 Wikidata

3.3.8 Wikipedia

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
360.40 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
11
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
359.9973430 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
359.9973430 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
214 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
122
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
2
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
7
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

6 Chemical Vendors

7 Drug and Medication Information

7.1 FDA National Drug Code Directory

8 Use and Manufacturing

8.1 Uses

Cosmetic Ingredient Review Link
CIR ingredient: Potassium Aspartate

8.1.1 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

8.1.2 Household Products

Household & Commercial/Institutional Products

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

• Personal Care

9 Safety and Hazards

9.1 Regulatory Information

The Australian Inventory of Industrial Chemicals
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.

9.2 Other Safety Information

Chemical Assessment

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

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

10 Literature

10.1 Consolidated References

10.2 NLM Curated PubMed Citations

10.3 Chemical Co-Occurrences in Literature

10.4 Chemical-Gene Co-Occurrences in Literature

10.5 Chemical-Disease Co-Occurrences in Literature

11 Patents

11.1 Depositor-Supplied Patent Identifiers

11.2 Chemical Co-Occurrences in Patents

11.3 Chemical-Disease Co-Occurrences in Patents

11.4 Chemical-Gene Co-Occurrences in Patents

12 Classification

12.1 MeSH Tree

12.2 NCI Thesaurus Tree

12.3 ChemIDplus

12.4 NORMAN Suspect List Exchange Classification

12.5 Consumer Product Information Database Classification

13 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
    L-Aspartic acid, monopotassium salt, hemihydrate
    https://services.industrialchemicals.gov.au/search-assessments/
    L-Aspartic acid, monopotassium salt, hemihydrate
    https://services.industrialchemicals.gov.au/search-inventory/
  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. 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. 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/
  6. 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/
  7. Cosmetic Ingredient Review (CIR)
  8. 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/
  9. 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
  10. 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
  11. 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
  12. 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
  13. Wikidata
    Potassium aspartate hemihydrate
    https://www.wikidata.org/wiki/Q81977329
  14. Wikipedia
  15. 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
  16. PubChem
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