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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6O6
Molecular Weight 174.1082
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ACONITIC ACID, (E)-

SMILES

OC(=O)C\C(=C/C(O)=O)C(O)=O

InChI

InChIKey=GTZCVFVGUGFEME-HNQUOIGGSA-N
InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+

HIDE SMILES / InChI

Molecular Formula C6H6O6
Molecular Weight 174.1082
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Description
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

Sources: DOI: 10.1002/jlac.18751780203
Curator's Comment: McCalip, M.A., Seibert, A.H. DOI: 10.1021/ie50377a019

Approval Year

TargetsConditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Palliative
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.
Palliative
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.
Palliative
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

PubMed

TitleDatePubMed
Age-related reference values for urinary organic acids in a healthy Turkish pediatric population.
1994 Jun
Patents

Sample Use Guides

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 Fri Dec 15 17:36:47 GMT 2023
Edited
by admin
on Fri Dec 15 17:36:47 GMT 2023
Record UNII
7DB37960CW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACONITIC ACID, (E)-
Common Name English
TRANS-PROPENE-1,2,3-TRICARBOXYLIC ACID
Common Name English
TRANS-ACONITIC ACID
Common Name English
ACONITIC ACID, TRANS-
Common Name English
FEMA NO. 2010, E-
Code English
NSC-43980
Code English
(E)-1-PROPENE-1,2,3-TRICARBOXYLIC ACID
Systematic Name English
1-PROPENE-1,2,3-TRICARBOXYLIC ACID, (1E)-
Common Name English
Code System Code Type Description
CAS
4023-65-8
Created by admin on Fri Dec 15 17:36:47 GMT 2023 , Edited by admin on Fri Dec 15 17:36:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID1048706
Created by admin on Fri Dec 15 17:36:47 GMT 2023 , Edited by admin on Fri Dec 15 17:36:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-688-6
Created by admin on Fri Dec 15 17:36:47 GMT 2023 , Edited by admin on Fri Dec 15 17:36:47 GMT 2023
PRIMARY
PUBCHEM
444212
Created by admin on Fri Dec 15 17:36:47 GMT 2023 , Edited by admin on Fri Dec 15 17:36:47 GMT 2023
PRIMARY
NSC
43980
Created by admin on Fri Dec 15 17:36:47 GMT 2023 , Edited by admin on Fri Dec 15 17:36:47 GMT 2023
PRIMARY
CHEBI
32806
Created by admin on Fri Dec 15 17:36:47 GMT 2023 , Edited by admin on Fri Dec 15 17:36:47 GMT 2023
PRIMARY
FDA UNII
7DB37960CW
Created by admin on Fri Dec 15 17:36:47 GMT 2023 , Edited by admin on Fri Dec 15 17:36:47 GMT 2023
PRIMARY