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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6O6
Molecular Weight 174.1085
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

C(\[H])(=C(/CC(=O)O)\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 174.1085
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
Fatal lactic acidosis in a newborn attributable to a congenital defect of pyruvate dehydrogenase.
1976 Jan
Abnormal carbohydrate metabolism in cerebrospinal fluid in Rett syndrome.
1994 Jan
Age-related reference values for urinary organic acids in a healthy Turkish pediatric population.
1994 Jun
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
Lactoferrin. Antiviral activity of lactoferrin.
1998
Abnormal substrate levels that depend upon mitochondrial function in cerebrospinal fluid from Alzheimer patients.
1998
Charge modification of plasma and milk proteins results in antiviral active compounds.
1999 Dec
Organic acids in the second morning urine in a healthy Swiss paediatric population.
2003 Dec
Characterization of organic anion-transporting polypeptide (Oatp) 1a1 and 1a4 null mice reveals altered transport function and urinary metabolomic profiles.
2011 Aug
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 Sat Jun 26 12:27:01 UTC 2021
Edited
by admin
on Sat Jun 26 12:27:01 UTC 2021
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 Sat Jun 26 12:27:01 UTC 2021 , Edited by admin on Sat Jun 26 12:27:01 UTC 2021
PRIMARY
EPA CompTox
4023-65-8
Created by admin on Sat Jun 26 12:27:01 UTC 2021 , Edited by admin on Sat Jun 26 12:27:01 UTC 2021
PRIMARY
ECHA (EC/EINECS)
223-688-6
Created by admin on Sat Jun 26 12:27:01 UTC 2021 , Edited by admin on Sat Jun 26 12:27:01 UTC 2021
PRIMARY
PUBCHEM
444212
Created by admin on Sat Jun 26 12:27:01 UTC 2021 , Edited by admin on Sat Jun 26 12:27:01 UTC 2021
PRIMARY
FDA UNII
7DB37960CW
Created by admin on Sat Jun 26 12:27:01 UTC 2021 , Edited by admin on Sat Jun 26 12:27:01 UTC 2021
PRIMARY