SODIUM ACONITATE, (Z)-

Possibly Marketed Outside US

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H3O6.3Na
Molecular Weight	240.0537
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].[O-]C(=O)C\C(=C\C([O-])=O)C([O-])=O

InChI

InChIKey=FONYLINGKWPNNY-GOYDZHMESA-K

InChI=1S/C6H6O6.3Na/c7-4(8)1-3(6(11)12)2-5(9)10;;;/h1H,2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3/b3-1-;;;

HIDE SMILES / InChI

Molecular Formula	C6H3O6
Molecular Weight	171.0844
Charge	-3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://www.fda.gov/Food/IngredientsPackagingLabeling/GRAS/SCOGS/ucm260845.htm
Curator's Comment: description was created based on several sources, including: http://www.drugfuture.com/chemdata/Aconitic-Acid.html http://www.accessdata.fda.gov/spl/data/c8b036c1-1366-4707-8f26-5778fc3335b7/c8b036c1-1366-4707-8f26-5778fc3335b7.xml

Aconitic Acid found in leaves and tubers of Aconitum napellus L., Ranunculaceae, in various species of Achillea (Compositae) and Equisetum (Equisetaceae), in beet root, and in sugar cane. It is indicated for the temporary relief of symptoms of chronic illness including fatigue, effects of toxin buildup, slowed metabolism, weakened constitution. The limited data on trans-aconitic acid indicate it to be less toxic than citric acid. Trans-aconitate salts appear to be excreted readily by the kidneys. There is no direct evidence that trans-aconitic acid is utilized as is the cis-aconitic acid isomer in mammalian metabolism although non-specific oxidation probably occurs.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Glutamine synthetase 29 Target ID: CHEMBL4612 Sources: http://www.ncbi.nlm.nih.gov/pubmed/924365	Inhibitor 8297
response to oxidative stress 20 Target ID: GO:0006979 Sources: http://www.ncbi.nlm.nih.gov/pubmed/27507497	Modulator 828	70.0 mM [IC50]
aconitate decarboxylase 1 5 Target ID: 730249.0 Gene Symbol: ACOD1 Sources: http://www.ncbi.nlm.nih.gov/pubmed/26872335 \| http://www.genome.jp/dbget-bin/www_bget?ec:4.1.1.6	Substrate 661
Cytoplasmic aconitate hydratase 7 Target ID: P21399 Gene ID: 48.0 Gene Symbol: ACO1 Target Organism: Homo sapiens (Human) Sources: http://www.ncbi.nlm.nih.gov/pubmed/18139222 \| http://www.genome.jp/dbget-bin/www_bget?ec:4.2.1.3	Substrate 661
Leishmania donovani 13 Target ID: CHEMBL367 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8285634 \| https://www.ncbi.nlm.nih.gov/pubmed/2597432	Inhibitor 8297
Aconitase 5 Target ID: Aconitase Sources: https://www.ncbi.nlm.nih.gov/pubmed/2597432 \| https://www.ncbi.nlm.nih.gov/pubmed/28087696	Inhibitor 8297

Conditions

Condition	Modality	Highest Phase	Product
Fatigue 46 Sources: http://www.accessdata.fda.gov/spl/data/c8b036c1-1366-4707-8f26-5778fc3335b7/c8b036c1-1366-4707-8f26-5778fc3335b7.xml	Palliative	Approved 8429	IMMUNO-BOOST Approved Use GRAS. Homeopathic drug is indicated for the temporary relief of symptoms of chronic illness including fatigue, effects of toxin buildup, slowed metabolism, weakened constitution.
Toxin buildup 5 Sources: http://www.accessdata.fda.gov/spl/data/c8b036c1-1366-4707-8f26-5778fc3335b7/c8b036c1-1366-4707-8f26-5778fc3335b7.xml	Palliative	Approved 8429	IMMUNO-BOOST Approved Use GRAS. Homeopathic drug is indicated for the temporary relief of symptoms of chronic illness including fatigue, effects of toxin buildup, slowed metabolism, weakened constitution.
Slowed metabolism 5 Sources: http://www.accessdata.fda.gov/spl/data/c8b036c1-1366-4707-8f26-5778fc3335b7/c8b036c1-1366-4707-8f26-5778fc3335b7.xml	Palliative	Approved 8429	IMMUNO-BOOST Approved Use GRAS. Homeopathic drug is indicated for the temporary relief of symptoms of chronic illness including fatigue, effects of toxin buildup, slowed metabolism, weakened constitution.

PubMed

Title	Date	PubMed
Abnormal carbohydrate metabolism in cerebrospinal fluid in Rett syndrome.	1994 Jan	8151077
Age-related reference values for urinary organic acids in a healthy Turkish pediatric population.	1994 Jun	8087979
Antiviral effects of milk proteins: acylation results in polyanionic compounds with potent activity against human immunodeficiency virus types 1 and 2 in vitro.	1996 Jun 10	8738428
Characterization of organic anion-transporting polypeptide (Oatp) 1a1 and 1a4 null mice reveals altered transport function and urinary metabolomic profiles.	2011 Aug	21561886

Patents

Sample Use Guides

In Vivo Use Guide

10 drops under the tongue, 3 to 6 times per day

Route of Administration: Oral

In Vitro Use Guide

10-30 ug/ml of trans-aconitic acid inhibits TNF-α release in LPS-stimulated THP-1 cells up to75%

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:24:51 GMT 2023` Edited by `admin` on `Sat Dec 16 10:24:51 GMT 2023`
Record UNII	6E35EJ9Q6U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM ACONITATE, (Z)-

Common Name

English

SODIUM CIS-ACONITATE

Common Name

English

1-PROPENE-1,2,3-TRICARBOXYLIC ACID, SODIUM SALT (1:3), (1Z)-

Systematic Name

English

TRISODIUM CIS-ACONITATE

Common Name

English

TRISODIUM ACONITATE, CIS-

Common Name

English

Code System Code Type Description

CAS

24281-22-9

Created by admin on Sat Dec 16 10:24:51 GMT 2023 , Edited by admin on Sat Dec 16 10:24:51 GMT 2023

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PUBCHEM

109374096

Created by admin on Sat Dec 16 10:24:51 GMT 2023 , Edited by admin on Sat Dec 16 10:24:51 GMT 2023

PRIMARY

FDA UNII

6E35EJ9Q6U

Created by admin on Sat Dec 16 10:24:51 GMT 2023 , Edited by admin on Sat Dec 16 10:24:51 GMT 2023

PRIMARY

Details

SMILES

InChI

Originator

Approval Year

Targets

Conditions

Approved Use

Approved Use

Approved Use

PubMed

Patents

Sample Use Guides