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4,5-Dihydro-2-methylthiazole is a constituent of various cooked foods

Isopropyl isothiocyanate is a member of the class of compounds known as isothiocyanates. Isothiocyanates are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. Isopropyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isopropyl isothiocyanate is a mustard and pungent tasting compound found in brussel sprouts, chinese mustard, and horseradish, which makes isopropyl isothiocyanate a potential biomarker for the consumption of these food products.

(s)-methylmalonate-semialdehyde is a member of the class of compounds known as 1,3-dicarbonyl compounds. 1,3-dicarbonyl compounds are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group (s)-methylmalonate-semialdehyde is soluble (in water) and a weakly acidic compound (based on its pKa). (s)-methylmalonate-semialdehyde can be found in a number of food items such as oil-seed camellia, jostaberry, yellow pond-lily, and pasta, which makes (s)-methylmalonate-semialdehyde a potential biomarker for the consumption of these food products.

Acetoacetate, also known as acetoacetic acid or oxobutyrate, belongs to short-chain keto acids and derivatives class of compounds. Those are keto acids with an alkyl chain the contains less than 6 carbon atoms. Acetoacetate is soluble (in water) and a weakly acidic compound (based on its pKa). Acetoacetate can be found in a number of food items such as plains prickly pear, daikon radish, papaya, and common chokecherry, which makes acetoacetate a potential biomarker for the consumption of these food products. Acetoacetic acid (also diacetic acid) is the organic compound with the formula CH3COCH2COOH. It is the simplest beta-keto acid group, and like other members of this class, it is unstable. The methyl and ethyl esters, which are quite stable, are produced on a large scale industrially as precursors to dyes. Acetoacetic acid is a weak acid .

The conjugate base of 2-methyl-3-oxopropanoic acid; major species at pH 7.3." []

2-Methyl-3-oxopropanoate with S configuration at the chiral centre." []

2-methyl-3-oxopropanoate with R configuration at the chiral centre; major microspecies at pH 7.3." []

A 3-oxo monocarboxylic acid anion that is the conjugate base of acetoacetic acid, arising from deprotonation of the carboxy group." []

The conjugate base of 4-oxobutanoic acid; major species at pH 7.3." []

A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxobutanoic acid, obtained by deprotonation of the carboxy group." []

The conjugate base of 2-methyl-3-oxopropanoic acid; major species at pH 7.3." []

2-Methyl-3-oxopropanoate with S configuration at the chiral centre." []

2-methyl-3-oxopropanoate with R configuration at the chiral centre; major microspecies at pH 7.3." []

The conjugate base of 4-oxobutanoic acid; major species at pH 7.3." []