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Table 1 Identified metabolites from post-prostatic palpation urine

From: Identification of metabolites from 2D 1H-13C HSQC NMR using peak correlation plots

Metabolite Selected peak ( 1H/ 13C) [ppm] Cutoff Number of correlating peaks (found/expected)
Trigonelline 9.12 / 148.4 0.9 5 / 5
Hippuric acid 7.82 / 129.6 0.9 4 / 4
Indoxyl sulphate 7.69 / 119.9 0.8 4 / 5
Phenylacetylglutamine* 7.41 / 131.5 0.8 8 / 8
trans-Aconitic acid 6.58 / 133.5 0.74 3 / 2
Levoglucosan 5.45 / 104.0 0.883 9 / 7
Carnitine** 4.56 / 66.8 0.7 4 / 4
Creatine 3.92 / 56.5 0.9 2 / 2
Mannitol 3.80 / 72.0 0.9 4 / 4
Erythritol 3.69 / 74.9 0.867 3 / 3
Galactitol 3.66 / 72.6 0.65 3 / 3
Glycine 3.56 / 44.2 0.8 1 / 1
Taurine 3.44 / 38.0 0.9 2 / 2
4-Hydroxyphenylacetic acid 3.44 / 46.1 0.9 3 / 3
Methanol 3.36 / 51.6 0.8 1 / 1
1-Methyluric acid 3.28 / 30.3 0.8 1 / 1
Betaine 3.26 / 55.8 0.8 2 / 2
TMAO 3.26 / 62.0 0.8 1 / 1
Ethanolamine 3.14 / 44.2 0.85 2 / 2
Isocitric acid 2.98 / 51.6 0.8476 5 / 4
Dimethylamine 2.72 / 37.4 0.8 1 / 1
Citric acid 2.54 / 48.1 0.899 2 / 2
Succinic acid 2.40 / 36.7 0.8 1 / 1
Glutamine 2.14 / 29.0 0.8 3 / 3
Acetic acid 1.92 / 26.1 0.8 1 / 1
Spermine 1.81 / 25.4 0.9 5 / 5
Lysine 1.70 / 29.0 0.7 5 / 6
Adipic acid 1.54 / 28.3 0.83 2 / 2
3-Hydroxyisovaleric acid 1.26 / 30.6 0.8 2 / 2
3-Aminoisobutanoic acid 1.20 / 17.6 0.8 4 / 4
  1. *NMR data not reported in HMDB. Correlating 1H signals compatible with literature values [19].
  2. **HSQC data not available in HMDB, compared to data from YMDB [20].
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