TRANS-ACONITIC-ACID

Structure

2D structure of TRANS-ACONITIC-ACID
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 444212

Names and identifiers

Name

TRANS-ACONITIC-ACID

IUPAC name

(E)-prop-1-ene-1,2,3-tricarboxylic acid

SMILES

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

General information

Molecular formula

C6H6O6

Molecular weight

174.11 g/mol

Monoisotopic mass

174.0164 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Echinochloa crus-galli (L.) P.Beauv. aerial parts -
Koh, H.S., Kim, M., Obata, T., Fukami, H., Ishii, S. (1977). Antifeedant in barnyard grass against the brown planthopper-trans-aconitic acid. Rice Brown Planthopper(Pap Semin) 1976 Food Fert Technol Center Asian Pac Reg Taipei Taiwan, 117
Juniperus communis L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Ranunculus acris L. subsp. acris - -
Nikonov, G.K., Syrkina-kruglyak, S.A. (1963). Chemical analysis of the active principle of Actaea spicata. Aptechn Delo, 12(1), 36-39