Table 4.
The 75 metabolites identified by NMR spectroscopy in recent metabonomics studies on human and mouse urine.
| Metabolite class | Common name | IUPAC name |
|---|---|---|
| Carboxylic acids | Formic acid | Formic acid |
| Acetic acid | Acetic acid | |
| Propionic acid | Propanoic acid | |
| Butyric acid | Butanoic acid | |
| Isobutyric acid | 2-Methylpropanoic acid | |
| Isovaleric acid | 2-Methylbutanoic acid | |
| Ketoleucine | 4-Methyl-2-oxopentanoic acid | |
| Benzoic acid | benzoic acid | |
| Phenylacetic acid | 2-Phenylacetic acid | |
| Para-hydroxy-phenylacetic acid | 2-(4-Hydroxyphenyl)acetic acid | |
| Hydrocinnamic acid | 3-Phenylpropanoic acid | |
| Hydroxycarboxylic acids | Glycolic acid | 2-Hydroxyacetic acid |
| Lactic acid | (2S)-2-hydroxypropanoic acid | |
| 2-Hydroxyisobutyric acid | 2-Hydroxy-2-methylpropanoic acid | |
| 3-Hydroxyisobutyric acid | (2S)-3-hydroxy-2-methylpropanoic acid | |
| Dicarboxylic acids | Succinic acid | Butanedioic acid |
| l-Malic acid | (2S)-2-hydroxybutanedioic acid | |
| Tartaric acid | (2R,3R)-2,3-Dihydroxybutanedioic acid | |
| Methylsuccinic acid | 2-Methylbutanedioic acid | |
| Glutaric acid | Pentanedioic acid | |
| 2-Hydroxyglutaric acid | (2S)-2-hydroxypentanedioic acid | |
| 2-Ketoglutaric acid | 2-Oxopentanedioic acid | |
| 2-Isopropylmalic acid | (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid | |
| Tricarboxylic acid | Citric acid | 2-Hydroxypropane-1,2,3-tricarboxylic acid |
| Isocitric acid | 1-Hydroxypropane-1,2,3-tricarboxylic acid | |
| cis-Aconitic acid | (1Z)-Prop-1-ene-1,2,3-tricarboxylic acid | |
| Trans-aconitic acid | (1E)-Prop-1-ene-1,2,3-tricarboxylic acid | |
| Small alcohols | Ethanol | Ethanol |
| Chiral 2, 3-butanediol | (2R,3R)-butane-2,3-diol or (2S,3S)-butane-2,3-diol | |
| Meso-2, 3-butanediol | (2R,3S)-2,3-butanediol | |
| Ketones | Butanone | Butan-2-one |
| Acetoin | 3-Hydroxybutan-2-one | |
| Sugars and sugar acids | d-Xylose | (3R,4S,5R)-oxane-2,3,4,5-tetrol |
| l-Fucose | (3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol | |
| d-Glucose | (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol | |
| Mannitol | (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol | |
| d-Glucaric acid | (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid | |
| d-Glucuronic acid | (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid | |
| Para-cresol glucuronide | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methylphenoxy)oxane-2-carboxylic acid | |
| Amines | Methylamine | Methanamine |
| Dimethylamine | Dimethylamine | |
| Trimethylamine | Trimethylamine | |
| Trimethylamine N-oxide | N,N-dimethylmethanamine oxide | |
| Ethanolamine | 2-Aminoethan-1-ol | |
| Choline | (2-Hydroxyethyl)trimethylazanium | |
| 3-Methylhistamine | 2-(1-Methyl-1H-imidazol-5-yl)ethan-1-amine | |
| Hypotaurine | 2-Aminoethane-1-sulfinic acid | |
| Taurine | 2-Aminoethane-1-sulfonic acid | |
| 3-Indoxyl sulphate | 1H-indol-3-yloxidanesulfonic acid | |
| Putrescine | Butane-1,4-diamine | |
| Creatinine | 2-Imino-1-methylimidazolidin-4-one | |
| Creatine | 2-(1-Methylcarbamimidamido)acetic acid | |
| l-Carnitine | (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate | |
| Amino acids and amides | Glycine | 2-Aminoacetic acid |
| N-methylglycine, sarcosine | 2-(Methylamino)acetic acid | |
| Dimethylglycine | 2-(Dimethylamino)acetic acid | |
| N,N,N-trimethylglycine, betaine | 2-(Trimethylazaniumyl)acetate | |
| N-acetylglycine | 2-Acetamidoacetic acid | |
| N-propionylglycine | 2-Propanamidoacetic acid | |
| N-butyrylglycine | 2-Butanamidoacetic acid | |
| N-isovalerylglycine | 2-(3-Methylbutanamido)acetic acid | |
| Hippuric acid, benzoylglycine | 2-(Phenylformamido)acetic acid | |
| Phenylacetylglycine | 2-(2-Phenylacetamido)acetic acid | |
| Guanidoacetic acid | 2-Carbamimidamidoacetic acid | |
| Ureidopropionic acid | 3-(Carbamoylamino)propanoic acid | |
| l-Alanine | (2S)-2-aminopropanoic acid | |
| Beta-alanine | 3-Aminopropanoic acid | |
| Pyroglutamic acid | (2S)-5-oxopyrrolidine-2-carboxylic acid | |
| l-Histidine | (2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid | |
| 1-Methylhistidine | (2S)-2-amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid | |
| Allantoin | (2,5-Dioxoimidazolidin-4-yl)urea | |
| Trigonelline | 1-Methylpyridin-1-ium-3-carboxylate | |
| 1-Methylnicotinamide | 3-Carbamoyl-1-methylpyridin-1-ium | |
| Cytosine | 6-Amino-1,2-dihydropyrimidin-2-one | |
| Other metabolites | Para-cresol sulphate | (4-Methylphenyl)oxidanesulfonic acid |