Table 3 56 out of 99 compounds not included in the five classes
Class | Name | IUPAC | Predicted Name |
|---|---|---|---|
Benzene | 4-Aminobenzoic acid | 4-aminobenzoic acid | No annotation |
| Â | Benzoic acid | benzoic acid | No annotation |
| Â | o-Toluic acid | 2-methylbenzoate | No annotation |
| Â | Phenylalanine | (2S)-2-amino-3-phenylpropanoic acid | No annotation |
| Â | Tyrosine | (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid | No annotation |
| Â | Ferulic acid | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid | No annotation |
| Â | Dopa | (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid | No annotation |
Alpha-Keto acid | 2-Oxoglutaric acid | 2-oxopentanedioic acid | No annotation |
| Â | Pyruvic acid | 2-oxopropanoic acid | Amine |
Indole, Imidazole | Histidine | (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid | No annotation |
| Â | Histidinol | 2-amino-3-(1H-imidazol-5-yl)propan-1-ol | No annotation |
| Â | Tryptophan | (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid | No annotation |
Purine, Pyrimidine | Adenine | 7H-purin-6-amine | No annotation |
| Â | Caffeine | 1,3,7-trimethylpurine-2,6-dione | No annotation |
| Â | Cytosine | 6-amino-1H-pyrimidin-2-one | No annotation |
| Â | Guanine | 2-amino-3,7-dihydropurin-6-one | No annotation |
| Â | Inosine | 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-p urin-6-one | No annotation |
| Â | Thymine | 5-methyl-1H-pyrimidine-2,4-dione | No annotation |
| Â | Uracil | 1H-pyrimidine-2,4-dione | No annotation |
| Â | Xanthine | 3,7-dihydropurine-2,6-dione | No annotation |
Amino acid | 2-Aminobutyric acid | 2-aminobutanoic acid | No annotation |
| Â | 2-Aminoisobutyric acid | 2-amino-2-methylpropanoic acid | No annotation |
| Â | 4-Aminobutyric acid | 4-aminobutanoic acid | Amine |
| Â | Alanine | (2S)-2-aminopropanoic acid | No annotation |
| Â | Allothreonine | (2S,3S)-2-amino-3-hydroxybutanoic acid | No annotation |
| Â | Asparagine | (2S)-2,4-diamino-4-oxobutanoic acid | No annotation |
| Â | Aspartic acid | (2S)-2-aminobutanedioic acid | No annotation |
| Â | Citrulline | (2S)-2-amino-5-(carbamoylamino)pentanoic acid | No annotation |
| Â | Cysteine | (2R)-2-amino-3-sulfanylpropanoic acid | No annotation |
| Â | Glutamic acid | (2S)-2-aminopentanedioic acid | No annotation |
| Â | Glutamine | (2S)-2,5-diamino-5-oxopentanoic acid | No annotation |
| Â | Glycine | 2-aminoacetic acid | Amine |
| Â | Glycyl-glycine | 2-[(2-aminoacetyl)amino]acetic acid | No annotation |
| Â | Homoserine | 2-amino-4-hydroxybutanoic acid | No annotation |
| Â | Isoleucine | (2S,3S)-2-amino-3-methylpentanoic acid | No annotation |
| Â | Leucine | (2S)-2-amino-4-methylpentanoic acid | No annotation |
| Â | Lysine | (2S)-2,6-diaminohexanoic acid | No annotation |
| Â | Methionine | (2S)-2-amino-4-methylsulfanylbutanoic acid | No annotation |
| Â | N-Acetyl-DL-valine | 2-acetamido-3-methylbutanoic acid | No annotation |
| Â | Ornithine | (2S)-2,5-diaminopentanoic acid | No annotation |
| Â | Proline | (2S)-pyrrolidine-2-carboxylic acid | No annotation |
| Â | Sarcosine | 2-(methylamino)acetic acid | No annotation |
| Â | Serine | (2S)-2-amino-3-hydroxypropanoic acid | No annotation |
| Â | Threonine | (2S,3R)-2-amino-3-hydroxybutanoic acid | No annotation |
| Â | Valine | (2S)-2-amino-3-methylbutanoic acid | No annotation |
|  | β-Alanine | 3-aminopropanoic acid | No annotation |
Other | 2-Hydroxypyridine | 1H-pyridin-2-one | No annotation |
| Â | 4-Hydroxypyridine | 1H-pyridin-4-one | No annotation |
| Â | Phosphoric acid | phosphate | Sugar phosphate |
| Â | Kojic acid | 5-hydroxy-2-(hydroxymethyl)pyran-4-one | No annotation |
| Â | Nicotinic acid | pyridine-3-carboxylic acid | No annotation |
| Â | Quinic acid | (3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid | No annotation |
| Â | Propyleneglycol | propane-1,2-diol | No annotation |
| Â | Creatinine | 2-amino-3-methyl-4H-imidazol-5-one | No annotation |
| Â | Urea | urea | Organic acid |
| Â | Ascorbic acid | (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one | No annotation |