499-12-7
499-12-7
Chemical Structure
Aconitic acid
Synonym(s): NSC 7616
- CAS No.: 499-12-7
- Formula:C6H6O6
- Molecular Weight:174.11
IUPAC Name: (Z)-prop-1-ene-1,2,3-tricarboxylic acid
InChIKey: GTZCVFVGUGFEME-IWQZZHSRSA-N
SMILES: O=C(O)/C=C(CC(O)=O)\C(O)=O
Biological Activity: Aconitic acid (NSC 7616) is an Antibacterial agent. Aconitic acid exerts dose-dependent inhibitory effects on Escherichia coli, Pseudomonas aeruginosa, Bacillus subtilis, and Staphylococcus aureus in vitro. Aconitic acid can be used in studies related to bacterial infections[1][2].
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Aconitic acid | 99.20% | Aconitic acid (NSC 7616) is an Antibacterial agent. Aconitic acid exerts dose-dependent inhibitory effects on Escherichia coli, Pseudomonas aeruginosa, Bacillus subtilis, and Staphylococcus aureus in vitro. Aconitic acid can be used in studies related to bacterial infections. | ||||||||||||||||||||
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Structural Analogs
-
Similarity Score 1.00
HY-W016813Rtrans-Aconitic acid (Standard) -
Similarity Score 0.92
HY-180688(Z)-But-1-ene-1,2,4-tricarboxylate -
Similarity Score 0.90
HY-N6822Triglochinic acid -
Similarity Score 0.84
HY-180741(2Z,4E)-5-Hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid -
Similarity Score 0.82
HY-1394273-Methylglutaconic acid -
Similarity Score 0.82
HY-139427S3-Methylglutaconic acid-13C3 -
Similarity Score 0.82
HY-1806595-Formyl-2-hydroxy-2,4-heptadienedioic acid -
Similarity Score 0.79
HY-1807252-Hydroxyhepta-2,4-dienedioate -
Similarity Score 0.78
HY-Y0520Itaconic acid -
Explore the MedChemAI to find more analogs
References
- [1]. Ferreres F, et al. Metabolic and bioactivity insights into Brassica oleracea var. acephala. Journal of agricultural and food chemistry. 2009 Oct 14;57(19):8884-92. [Content Brief]
- [2]. Subha J, et al. Electronic Structure, Bonding Characteristics, and Antibacterial Activity of Aconitic Acid: Insights from DFT and Molecular Dynamics Simulations[J]. ChemistrySelect, 2025, 10(41): e03669.
