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Citation Information
Lung Cancer. 2011 Nov;74(2):284-92. doi: 10.1016/j.lungcan.2011.02.008. Epub 2011 Mar 15.
A metabolomic approach to lung cancer.
Hori S, Nishiumi S, Kobayashi K, Shinohara M, Hatakeyama Y, Kotani Y, Hatano N, Maniwa Y, Nishio W, Bamba T, Fukusaki E, Azuma T, Takenawa T, Nishimura Y, Yoshida M.
Analytical methods | |||||
|---|---|---|---|---|---|
| Comparative study | #1 | #2 | #3 | #4 | |
| Chromatography | GC | GC | GC | GC | |
| Ion source | – | – | – | – | |
| Positive/Negative mode | – | – | – | – | |
| Mass analyzer | – | – | – | – | |
| Identification level | – | – | – | – | |
Sample information | |||||
|---|---|---|---|---|---|
| Comparative study | #1 | #2 | #3 | #4 | |
| Country | Japan | Japan | Japan | Japan | |
| Specimen | serum | serum | serum | tissue | |
| Marker function | diagnosis | diagnosis | diagnosis | diagnosis | |
| Participants(Case) | Cancer type | adenocarcinoma, squamous cell carcinoma, SCLC | adenocarcinoma, squamous cell carcinoma, SCLC | adenocarcinoma, squamous cell carcinoma, SCLC | adenocarcinoma, squamous cell carcinoma, SCLC |
| Stage | I, II, III, IV | I, II | III, IV | – | |
| Number | 33 | 11 | 22 | 7 | |
| Gender (M,F) | 26, 7 | – | – | 6, 1 | |
| Mean age (range) (M,F) | median: 65 (55-81) | – | – | median: 61 (53-82) | |
| Smoking status | smoker, non-smoker, unknown | – | – | smoker, non-smoker | |
| Participants(Control) | Type | healthy | healthy | healthy | tumor vs. adjacent normal tissue |
| Number | 29.0 | 29.0 | 29.0 | 7.0 | |
| Gender (M,F) | 23, 6 | 23, 6 | 23, 6 | 6, 1 | |
| Mean age (range) (M,F) | median: 64 (34-78) | median: 64 (34-78) | median: 64 (34-78) | median: 61 (53-82) | |
| Smoking status | smoker, non-smoker, unknown | smoker, non-smoker, unknown | smoker, non-smoker, unknown | smoker, non-smoker | |
Data processing and metabolite identification | |
|---|---|
| Data processing software | Shimadzu GCMSsolution software |
| Database search | commercially available GC/MS Metabolite Mass Spectral Database (Shimadzu Co.), NIST Mass Spectral Library (NIST 08) |
Statistics and concentration information | |
|---|---|
| Differential analysis method | student’s t-test, PLS-DA |
| Classification method | – |
| Survival analysis method | – |
Metabolites identified in the paper
| Metabolite | Comparative study | Author-emphasized biomarkers | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
|---|---|---|---|---|---|---|---|---|
| lactic acid | – | V | – | – | 1.42 | <0.001 | – | – |
| 2-hydroxyisobutyric acid | – | V | – | – | 1.35 | <0.0001 | – | – |
| 2-hydroxyisobutyric acid | – | V | – | – | 1.39 | <0.0001 | – | – |
| benzoic acid | – | V | – | – | 1.39 | <0.0001 | – | – |
| benzoic acid | – | V | – | – | 1.48 | <0.0001 | – | – |
| fumaric acid | – | V | – | – | 1.76 | <0.0001 | – | – |
| fumaric acid | – | V | – | – | 1.61 | <0.0001 | – | – |
| fumaric acid | – | V | – | – | 1.84 | <0.0001 | – | – |
| glyceric acid | – | V | – | – | 0.47 | <0.0001 | – | – |
| glyceric acid | – | V | – | – | 0.42 | <0.0001 | – | – |
| lactic acid | – | V | – | – | 1.51 | <0.0001 | – | – |
| lactic acid | – | V | – | – | 1.56 | <0.0001 | – | – |
| octanoic acid | – | V | – | – | 1.58 | <0.0001 | – | – |
| octanoic acid | – | V | – | – | 1.74 | <0.0001 | – | – |
| citric acid | – | – | – | – | 1.01 | 0.976 | – | – |
| 2-hexenedioic acid | – | V | – | – | 1.01 | 0.975 | – | – |
| decanoic acid | – | – | – | – | 1.01 | 0.954 | – | – |
| ethylmalonic acid | – | – | – | – | 1 | 0.951 | – | – |
| urea | – | – | – | – | 1.02 | 0.951 | – | – |
| 7-hydroxyoctanoic acid | – | – | – | – | 1.01 | 0.946 | – | – |
| L-leucine | – | – | – | – | 1.03 | 0.934 | – | – |
| margaric acid | – | – | – | – | 0.99 | 0.923 | – | – |
| urea | – | – | – | – | 1 | 0.916 | – | – |
| 2-hydroxybutyric acid | – | – | – | – | 1 | 0.909 | – | – |
| isocitric acid | – | – | – | – | 1.02 | 0.903 | – | – |
| glyceric acid | – | V | – | – | 1.04 | 0.886 | – | – |
| ethylmalonic acid | – | – | – | – | 0.99 | 0.882 | – | – |
| ethylmalonic acid | – | – | – | – | 0.99 | 0.881 | – | – |
| sarcosine | – | V | – | – | 1.02 | 0.866 | – | – |
| glycolic acid | – | – | – | – | 0.98 | 0.846 | – | – |
| pyruvic acid | – | V | – | – | 0.97 | 0.842 | – | – |
| glucuronic lactone | – | – | – | – | 1.05 | 0.835 | – | – |
| L-valine | – | – | – | – | 1.04 | 0.807 | – | – |
| 3-hydroxypropionic acid | – | – | – | – | 1.11 | 0.803 | – | – |
| 3-hydroxypropionic acid | – | – | – | – | 1.06 | 0.795 | – | – |
| L-alanine | – | – | – | – | 1.07 | 0.794 | – | – |
| α-amino butyric acid | – | – | – | – | 1.04 | 0.794 | – | – |
| maleic acid | – | – | – | – | 1.09 | 0.77 | – | – |
| oxalic acid | – | – | – | – | 1.02 | 0.755 | – | – |
| glucuronic lactone | – | – | – | – | 0.9 | 0.736 | – | – |
| isovalerylglycine | – | V | – | – | 1.03 | 0.715 | – | – |
| L-leucine | – | – | – | – | 1.04 | 0.715 | – | – |
| L-phenylalanine | – | V | – | – | 1.06 | 0.704 | – | – |
| glucuronic lactone | – | – | – | – | 1.14 | 0.691 | – | – |
| L-methionine | – | V | – | – | 1.13 | 0.677 | – | – |
| L-leucine | – | – | – | – | 1.05 | 0.672 | – | – |
| L-glycine | – | V | – | – | 1.08 | 0.645 | – | – |
| glyoxylic acid | – | – | – | – | 1.15 | 0.62 | – | – |
| 2-hydroxybutyric acid | – | – | – | – | 0.96 | 0.609 | – | – |
| oxalic acid | – | – | – | – | 1.07 | 0.595 | – | – |
| succinic acid | – | – | – | – | 0.94 | 0.595 | – | – |
| L-valine | – | – | – | – | 1.06 | 0.581 | – | – |
| L-valine | – | – | – | – | 1.05 | 0.553 | – | – |
| urea | – | – | – | – | 0.99 | 0.546 | – | – |
| palmitic acid | – | – | – | – | 0.97 | 0.539 | – | – |
| stearic acid | – | – | – | – | 0.99 | 0.539 | – | – |
| 2-hydroxybutyric acid | – | – | – | – | 0.95 | 0.534 | – | – |
| glucuronic lactone | – | – | – | – | 1.06 | 0.511 | – | – |
| lauric acid | – | – | – | – | 0.83 | 0.507 | – | – |
| glycolic acid | – | – | – | – | 0.95 | 0.506 | – | – |
| margaric acid | – | – | – | – | 0.97 | 0.494 | – | – |
| stearic acid | – | – | – | – | 1.02 | 0.49 | – | – |
| citric acid | – | – | – | – | 1.09 | 0.481 | – | – |
| 7-hydroxyoctanoic acid | – | – | – | – | 0.98 | 0.471 | – | – |
| aconitic acid | – | V | – | – | 1.02 | 0.471 | – | – |
| glycolic acid | – | – | – | – | 0.94 | 0.471 | – | – |
| pyruvic acid | – | V | – | – | 1.08 | 0.463 | – | – |
| isocitric acid | – | – | – | – | 0.97 | 0.458 | – | – |
| citric acid | – | – | – | – | 0.97 | 0.437 | – | – |
| indol-3-acetic acid | – | – | – | – | 1.12 | 0.434 | – | – |
| 3-hydroxyisobutyric acid | – | – | – | – | 1.47 | 0.428 | – | – |
| 3-hydroxybutyric acid | – | V | – | – | 1.48 | 0.423 | – | – |
| 4-hydroxyproline | – | V | – | – | 1.31 | 0.414 | – | – |
| glucuronic lactone | – | – | – | – | 1.09 | 0.412 | – | – |
| 4-hydroxyphenyllactic acid | – | – | – | – | 1.23 | 0.402 | – | – |
| palmitoleic acid | – | V | – | – | 1.35 | 0.384 | – | – |
| 3-hydroxypropionic acid | – | – | – | – | 1.11 | 0.377 | – | – |
| 3-hydroxyisobutyric acid | – | – | – | – | 1.18 | 0.375 | – | – |
| 3-hydroxypropionic acid | – | – | – | – | 1.08 | 0.374 | – | – |
| margaric acid | – | – | – | – | 0.95 | 0.373 | – | – |
| 7-hydroxyoctanoic acid | – | – | – | – | 1.07 | 0.372 | – | – |
| sarcosine | – | V | – | – | 0.62 | 0.372 | – | – |
| L-glutamic acid | – | V | – | – | 0.83 | 0.371 | – | – |
| isocitric acid | – | – | – | – | 1.02 | 0.369 | – | – |
| L-phenylalanine | – | V | – | – | 0.93 | 0.366 | – | – |
| urea | – | – | – | – | 0.98 | 0.366 | – | – |
| α-amino butyric acid | – | – | – | – | 1.1 | 0.358 | – | – |
| margaric acid | – | – | – | – | 0.22 | 0.345 | – | – |
| L-glycine | – | V | – | – | 1.42 | 0.343 | – | – |
| myristic acid | – | – | – | – | 0.89 | 0.343 | – | – |
| L-serine | – | – | – | – | 0.91 | 0.328 | – | – |
| aconitic acid | – | V | – | – | 1.17 | 0.327 | – | – |
| 2-ketoglutaric acid | – | – | – | – | 0.84 | 0.324 | – | – |
| L-alanine | – | – | – | – | 1.08 | 0.32 | – | – |
| palmitoleic acid | – | V | – | – | 1.33 | 0.304 | – | – |
| indol-3-acetic acid | – | – | – | – | 0.91 | 0.301 | – | – |
| pyruvic acid | – | V | – | – | 1.1 | 0.274 | – | – |
| oxalic acid | – | – | – | – | 1.18 | 0.254 | – | – |
| decanoic acid | – | – | – | – | 0.88 | 0.25 | – | – |
| L-serine | – | – | – | – | 0.89 | 0.248 | – | – |
| L-threonine | – | – | – | – | 1.16 | 0.248 | – | – |
| decanoic acid | – | – | – | – | 1.08 | 0.24 | – | – |
| palmitoleic acid | – | V | – | – | 1.34 | 0.229 | – | – |
| L-alanine | – | – | – | – | 1.13 | 0.225 | – | – |
| isovalerylglycine | – | V | – | – | 1.07 | 0.223 | – | – |
| palmitic acid | – | – | – | – | 0.9 | 0.214 | – | – |
| L-methionine | – | V | – | – | 1.24 | 0.212 | – | – |
| L-methionine | – | V | – | – | 1.17 | 0.209 | – | – |
| glycerol | – | – | – | – | 0.79 | 0.208 | – | – |
| maleic acid | – | – | – | – | 1.13 | 0.205 | – | – |
| glyoxylic acid | – | – | – | – | 1.19 | 0.187 | – | – |
| pyruvic acid | – | V | – | – | 1.08 | 0.184 | – | – |
| uric acid | – | V | – | – | 2.08 | 0.18 | – | – |
| myristic acid | – | – | – | – | 0.86 | 0.179 | – | – |
| 3-hydroxyisobutyric acid | – | – | – | – | 1.24 | 0.165 | – | – |
| glyoxylic acid | – | – | – | – | 1.27 | 0.164 | – | – |
| palmitic acid | – | – | – | – | 0.88 | 0.161 | – | – |
| maleic acid | – | – | – | – | 1.2 | 0.157 | – | – |
| glucuronic lactone | – | – | – | – | 1.19 | 0.15 | – | – |
| isovalerylglycine | – | V | – | – | 1.09 | 0.146 | – | – |
| α-amino butyric acid | – | – | – | – | 1.22 | 0.145 | – | – |
| succinic acid | – | – | – | – | 0.92 | 0.134 | – | – |
| L-serine | – | – | – | – | 0.9 | 0.132 | – | – |
| citric acid | – | – | – | – | 0.67 | 0.128 | – | – |
| stearic acid | – | – | – | – | 0.93 | 0.119 | – | – |
| isocitric acid | – | – | – | – | 0.67 | 0.117 | – | – |
| 2-hydroxyisovaleric acid | – | V | – | – | 1.4 | 0.114 | – | – |
| 5-oxoproline | – | V | – | – | 0.89 | 0.114 | – | – |
| phosphoric acid | – | V | – | – | 0.87 | 0.106 | – | – |
| 3-hydroxybutyric acid | – | V | – | – | 2.09 | 0.104 | – | – |
| 3-hydroxyisobutyric acid | – | – | – | – | 1.2 | 0.103 | – | – |
| glucuronic lactone | – | – | – | – | 1.29 | 0.101 | – | – |
| L-proline | – | V | – | – | 1.35 | 0.101 | – | – |
| 4-hydroxyphenyllactic acid | – | – | – | – | 0.73 | 0.099 | – | – |
| 2-propyl-glutaric acid | – | V | – | – | 1.09 | 0.097 | – | – |
| L-lysine | – | – | – | – | 1.42 | 0.095 | – | – |
| asparagine | – | – | – | – | 3.05 | 0.092 | – | – |
| glycerol | – | – | – | – | 0.74 | 0.092 | – | – |
| uric acid | – | V | – | – | 1.67 | 0.092 | – | – |
| myristic acid | – | – | – | – | 0.88 | 0.086 | – | – |
| L-phenylalanine | – | V | – | – | 0.86 | 0.085 | – | – |
| aconitic acid | – | V | – | – | 1.49 | 0.082 | – | – |
| succinic acid | – | – | – | – | 0.88 | 0.081 | – | – |
| L-isoleucine | – | – | – | – | 1.25 | 0.071 | – | – |
| palmitic acid | – | – | – | – | 0.89 | 0.07 | – | – |
| malonic acid | – | – | – | – | 1.27 | 0.069 | – | – |
| phosphoric acid | – | V | – | – | 0.86 | 0.068 | – | – |
| glycerol | – | – | – | – | 1.4 | 0.067 | – | – |
| N-acetyl glucosamine | – | – | – | – | 2.31 | 0.063 | – | – |
| D-glucose | – | – | – | – | 2.23 | 0.062 | – | – |
| 2-hydroxyisobutyric acid | – | V | – | – | 1.21 | 0.06 | – | – |
| 2-hydroxyphenylacetic acid | – | – | – | – | 0.8 | 0.058 | – | – |
| glyoxylic acid | – | – | – | – | 1.85 | 0.057 | – | – |
| 4-hydroxyproline | – | V | – | – | 1.68 | 0.056 | – | – |
| L-glycine | – | V | – | – | 1.29 | 0.052 | – | – |
| L-threonine | – | – | – | – | 1.27 | 0.052 | – | – |
| aspartic acid | – | V | – | – | 0.68 | 0.051 | – | – |
| malonic acid | – | – | – | – | 1.54 | 0.049 | – | – |
| oxalic acid | – | – | – | – | 1.41 | 0.047 | – | – |
| DL-ornithine | – | – | – | – | 1.59 | 0.045 | – | – |
| 4-hydroxyphenyllactic acid | – | – | – | – | 1.48 | 0.042 | – | – |
| butanoic acid | – | – | – | – | 1.82 | 0.04 | – | – |
| L-threonine | – | – | – | – | 1.24 | 0.04 | – | – |
| octanoic acid | – | V | – | – | 1.23 | 0.039 | – | – |
| adenosine | – | – | – | – | 1.69 | 0.037 | – | – |
| lauric acid | – | – | – | – | 0.77 | 0.035 | – | – |
| malic acid | – | V | – | – | 1.43 | 0.033 | – | – |
| stearic acid | – | – | – | – | 1.07 | 0.033 | – | – |
| glycerol | – | – | – | – | 0.77 | 0.031 | – | – |
| L-glutamic acid | – | V | – | – | 0.67 | 0.031 | – | – |
| 4-hydroxyproline | – | V | – | – | 1.43 | 0.029 | – | – |
| L-serine | – | – | – | – | 1.82 | 0.029 | – | – |
| L-glutamic acid | – | V | – | – | 0.72 | 0.026 | – | – |
| 2-propyl-glutaric acid | – | V | – | – | 1.16 | 0.024 | – | – |
| 4-hydroxyphenylacetic acid | – | – | – | – | 2.1 | 0.024 | – | – |
| L-isoleucine | – | – | – | – | 1.28 | 0.024 | – | – |
| myristic acid | – | – | – | – | 0.69 | 0.024 | – | – |
| L-threonine | – | – | – | – | 1.89 | 0.023 | – | – |
| 2-hexenedioic acid | – | V | – | – | 1.11 | 0.022 | – | – |
| 2-hydroxybutyric acid | – | – | – | – | 1.64 | 0.022 | – | – |
| L-leucine | – | – | – | – | 1.74 | 0.021 | – | – |
| 2-hydroxyisovaleric acid | – | V | – | – | 1.62 | 0.019 | – | – |
| L-cysteine | – | – | – | – | 3.26 | 0.019 | – | – |
| L-glutamine | – | – | – | – | 2.54 | 0.019 | – | – |
| L-tryptophan | – | – | – | – | 4.43 | 0.019 | – | – |
| L-valine | – | – | – | – | 1.88 | 0.019 | – | – |
| 2-propyl-glutaric acid | – | V | – | – | 1.13 | 0.018 | – | – |
| lactic acid | – | V | – | – | 1.22 | 0.017 | – | – |
| aspartic acid | – | V | – | – | 1.59 | 0.016 | – | – |
| L-phenylalanine | – | – | – | – | 2.21 | 0.016 | – | – |
| indol-3-acetic acid | – | – | – | – | 0.8 | 0.015 | – | – |
| aminomalonic acid | – | – | – | – | 2.32 | 0.014 | – | – |
| malonic acid | – | – | – | – | 1.22 | 0.014 | – | – |
| guanine | – | – | – | – | 2.02 | 0.013 | – | – |
| L-glycine | – | V | – | – | 1.4 | 0.013 | – | – |
| methionine | – | V | – | – | 2.05 | 0.013 | – | – |
| phosphoric acid | – | V | – | – | 0.87 | 0.013 | – | – |
| benzoic acid | – | V | – | – | 1.21 | 0.012 | – | – |
| glycolic acid | – | – | – | – | 1.33 | 0.012 | – | – |
| L-tyrosine | – | – | – | – | 2.43 | 0.012 | – | – |
| uracil | – | – | – | – | 1.86 | 0.011 | – | – |
| α-aminoadipic acid | – | – | – | – | 2.36 | 0.01 | – | – |
| 2-hydroxyisovaleric acid | – | V | – | – | 1.47 | 0.0091 | – | – |
| N-acetylaspartic acid | – | – | – | – | 2.01 | 0.009 | – | – |
| thiodiglycolic acid | – | – | – | – | 1.97 | 0.009 | – | – |
| lauric acid | – | – | – | – | 0.64 | 0.0089 | – | – |
| L-proline | – | V | – | – | 2.02 | 0.008 | – | – |
| ethanimidic acid | – | – | – | – | 1.6 | 0.007 | – | – |
| L-alanine | – | – | – | – | 1.7 | 0.007 | – | – |
| L-isoleucine | – | – | – | – | 2.07 | 0.007 | – | – |
| pyrimidine | – | – | – | – | 1.92 | 0.007 | – | – |
| 5-oxoproline | – | V | – | – | 0.83 | 0.0062 | – | – |
| glycine | – | V | – | – | 1.77 | 0.006 | – | – |
| succinic acid | – | – | – | – | 1.84 | 0.006 | – | – |
| 5-oxoproline | – | V | – | – | 2.06 | 0.005 | – | – |
| 9h-purine | – | – | – | – | 2.18 | 0.005 | – | – |
| D-gluconic acid | – | – | – | – | 1.73 | 0.005 | – | – |
| D-ribose | – | – | – | – | 2.66 | 0.005 | – | – |
| L-isoleucine | – | – | – | – | 1.26 | 0.0042 | – | – |
| L-proline | – | V | – | – | 1.41 | 0.0042 | – | – |
| 4-hydroxyphenyllactic acid | – | – | – | – | 2.95 | 0.004 | – | – |
| propanoic acid | – | – | – | – | 1.2 | 0.004 | – | – |
| 3-hydroxybutyric acid | – | V | – | – | 2.41 | 0.0038 | – | – |
| malic acid | – | V | – | – | 1.35 | 0.0036 | – | – |
| malonic acid | – | – | – | – | 1.31 | 0.0036 | – | – |
| aspartic acid | – | V | – | – | 0.58 | 0.0032 | – | – |
| L-glutamic acid | – | V | – | – | 2.31 | 0.003 | – | – |
| 3-hydroxybutyric acid | – | V | – | – | 2.2 | 0.0029 | – | – |
| sarcosine | – | V | – | – | 1.17 | 0.0027 | – | – |
| glyceric acid | – | V | – | – | 0.57 | 0.0025 | – | – |
| 2-hydroxyglutaric acid | – | – | – | – | 2.29 | 0.002 | – | – |
| fumaric acid | – | V | – | – | 1.86 | 0.002 | – | – |
| 5-oxoproline | – | V | – | – | 0.85 | 0.0019 | – | – |
| L-proline | – | V | – | – | 1.34 | 0.0015 | – | – |
| 2-hydroxyisobutyric acid | – | V | – | – | 1.29 | 0.0012 | – | – |
| inosine | – | – | – | – | 1.97 | 0.001 | – | – |
| lauric acid | – | – | – | – | 0.39 | 0.001 | – | – |
| phosphoric acid | – | V | – | – | 1.18 | 0.001 | – | – |
| 2-hexenedioic acid | – | V | – | – | 1.16 | 0.0008 | – | – |
| uric acid | – | V | – | – | 2.33 | 0.0007 | – | – |
| uric acid | – | V | – | – | 2.84 | 0.0007 | – | – |
| aspartic acid | – | V | – | – | 0.65 | 0.0003 | – | – |
| malic acid | – | V | – | – | 1.84 | 0.0003 | – | – |
| malic acid | – | V | – | – | 1.4 | 0.0002 | – | – |
| sarcosine | – | V | – | – | 1.24 | 0.0001 | – | – |
| Metabolite | Comparative study | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
|---|---|---|---|---|---|---|---|
| lactic acid | – | V | – | – | – | – | – |
| 2-hydroxyisobutyric acid | – | V | – | – | – | – | – |
| 2-hydroxyisobutyric acid | – | V | – | – | – | – | – |
| benzoic acid | – | V | – | – | – | – | – |
| benzoic acid | – | V | – | – | – | – | – |
| fumaric acid | – | V | – | – | – | – | – |
| fumaric acid | – | V | – | – | – | – | – |
| fumaric acid | – | V | – | – | – | – | – |
| glyceric acid | – | V | – | – | – | – | – |
| glyceric acid | – | V | – | – | – | – | – |
| lactic acid | – | V | – | – | – | – | – |
| lactic acid | – | V | – | – | – | – | – |
| octanoic acid | – | V | – | – | – | – | – |
| octanoic acid | – | V | – | – | – | – | – |
| citric acid | – | – | – | – | – | – | – |
| 2-hexenedioic acid | – | V | – | – | – | – | – |
| decanoic acid | – | – | – | – | – | – | – |
| ethylmalonic acid | – | – | – | – | – | – | – |
| urea | – | – | – | – | – | – | – |
| 7-hydroxyoctanoic acid | – | – | – | – | – | – | – |
| L-leucine | – | – | – | – | – | – | – |
| margaric acid | – | – | – | – | – | – | – |
| urea | – | – | – | – | – | – | – |
| 2-hydroxybutyric acid | – | – | – | – | – | – | – |
| isocitric acid | – | – | – | – | – | – | – |
| glyceric acid | – | V | – | – | – | – | – |
| ethylmalonic acid | – | – | – | – | – | – | – |
| ethylmalonic acid | – | – | – | – | – | – | – |
| sarcosine | – | V | – | – | – | – | – |
| glycolic acid | – | – | – | – | – | – | – |
| pyruvic acid | – | V | – | – | – | – | – |
| glucuronic lactone | – | – | – | – | – | – | – |
| L-valine | – | – | – | – | – | – | – |
| 3-hydroxypropionic acid | – | – | – | – | – | – | – |
| 3-hydroxypropionic acid | – | – | – | – | – | – | – |
| L-alanine | – | – | – | – | – | – | – |
| α-amino butyric acid | – | – | – | – | – | – | – |
| maleic acid | – | – | – | – | – | – | – |
| oxalic acid | – | – | – | – | – | – | – |
| glucuronic lactone | – | – | – | – | – | – | – |
| isovalerylglycine | – | V | – | – | – | – | – |
| L-leucine | – | – | – | – | – | – | – |
| L-phenylalanine | – | V | – | – | – | – | – |
| glucuronic lactone | – | – | – | – | – | – | – |
| L-methionine | – | V | – | – | – | – | – |
| L-leucine | – | – | – | – | – | – | – |
| L-glycine | – | V | – | – | – | – | – |
| glyoxylic acid | – | – | – | – | – | – | – |
| 2-hydroxybutyric acid | – | – | – | – | – | – | – |
| oxalic acid | – | – | – | – | – | – | – |
| succinic acid | – | – | – | – | – | – | – |
| L-valine | – | – | – | – | – | – | – |
| L-valine | – | – | – | – | – | – | – |
| urea | – | – | – | – | – | – | – |
| palmitic acid | – | – | – | – | – | – | – |
| stearic acid | – | – | – | – | – | – | – |
| 2-hydroxybutyric acid | – | – | – | – | – | – | – |
| glucuronic lactone | – | – | – | – | – | – | – |
| lauric acid | – | – | – | – | – | – | – |
| glycolic acid | – | – | – | – | – | – | – |
| margaric acid | – | – | – | – | – | – | – |
| stearic acid | – | – | – | – | – | – | – |
| citric acid | – | – | – | – | – | – | – |
| 7-hydroxyoctanoic acid | – | – | – | – | – | – | – |
| aconitic acid | – | V | – | – | – | – | – |
| glycolic acid | – | – | – | – | – | – | – |
| pyruvic acid | – | V | – | – | – | – | – |
| isocitric acid | – | – | – | – | – | – | – |
| citric acid | – | – | – | – | – | – | – |
| indol-3-acetic acid | – | – | – | – | – | – | – |
| 3-hydroxyisobutyric acid | – | – | – | – | – | – | – |
| 3-hydroxybutyric acid | – | V | – | – | – | – | – |
| 4-hydroxyproline | – | V | – | – | – | – | – |
| glucuronic lactone | – | – | – | – | – | – | – |
| 4-hydroxyphenyllactic acid | – | – | – | – | – | – | – |
| palmitoleic acid | – | V | – | – | – | – | – |
| 3-hydroxypropionic acid | – | – | – | – | – | – | – |
| 3-hydroxyisobutyric acid | – | – | – | – | – | – | – |
| 3-hydroxypropionic acid | – | – | – | – | – | – | – |
| margaric acid | – | – | – | – | – | – | – |
| 7-hydroxyoctanoic acid | – | – | – | – | – | – | – |
| sarcosine | – | V | – | – | – | – | – |
| L-glutamic acid | – | V | – | – | – | – | – |
| isocitric acid | – | – | – | – | – | – | – |
| L-phenylalanine | – | V | – | – | – | – | – |
| urea | – | – | – | – | – | – | – |
| α-amino butyric acid | – | – | – | – | – | – | – |
| margaric acid | – | – | – | – | – | – | – |
| L-glycine | – | V | – | – | – | – | – |
| myristic acid | – | – | – | – | – | – | – |
| L-serine | – | – | – | – | – | – | – |
| aconitic acid | – | V | – | – | – | – | – |
| 2-ketoglutaric acid | – | – | – | – | – | – | – |
| L-alanine | – | – | – | – | – | – | – |
| palmitoleic acid | – | V | – | – | – | – | – |
| indol-3-acetic acid | – | – | – | – | – | – | – |
| pyruvic acid | – | V | – | – | – | – | – |
| oxalic acid | – | – | – | – | – | – | – |
| decanoic acid | – | – | – | – | – | – | – |
| L-serine | – | – | – | – | – | – | – |
| L-threonine | – | – | – | – | – | – | – |
| decanoic acid | – | – | – | – | – | – | – |
| palmitoleic acid | – | V | – | – | – | – | – |
| L-alanine | – | – | – | – | – | – | – |
| isovalerylglycine | – | V | – | – | – | – | – |
| palmitic acid | – | – | – | – | – | – | – |
| L-methionine | – | V | – | – | – | – | – |
| L-methionine | – | V | – | – | – | – | – |
| glycerol | – | – | – | – | – | – | – |
| maleic acid | – | – | – | – | – | – | – |
| glyoxylic acid | – | – | – | – | – | – | – |
| pyruvic acid | – | V | – | – | – | – | – |
| uric acid | – | V | – | – | – | – | – |
| myristic acid | – | – | – | – | – | – | – |
| 3-hydroxyisobutyric acid | – | – | – | – | – | – | – |
| glyoxylic acid | – | – | – | – | – | – | – |
| palmitic acid | – | – | – | – | – | – | – |
| maleic acid | – | – | – | – | – | – | – |
| glucuronic lactone | – | – | – | – | – | – | – |
| isovalerylglycine | – | V | – | – | – | – | – |
| α-amino butyric acid | – | – | – | – | – | – | – |
| succinic acid | – | – | – | – | – | – | – |
| L-serine | – | – | – | – | – | – | – |
| citric acid | – | – | – | – | – | – | – |
| stearic acid | – | – | – | – | – | – | – |
| isocitric acid | – | – | – | – | – | – | – |
| 2-hydroxyisovaleric acid | – | V | – | – | – | – | – |
| 5-oxoproline | – | V | – | – | – | – | – |
| phosphoric acid | – | V | – | – | – | – | – |
| 3-hydroxybutyric acid | – | V | – | – | – | – | – |
| 3-hydroxyisobutyric acid | – | – | – | – | – | – | – |
| glucuronic lactone | – | – | – | – | – | – | – |
| L-proline | – | V | – | – | – | – | – |
| 4-hydroxyphenyllactic acid | – | – | – | – | – | – | – |
| 2-propyl-glutaric acid | – | V | – | – | – | – | – |
| L-lysine | – | – | – | – | – | – | – |
| asparagine | – | – | – | – | – | – | – |
| glycerol | – | – | – | – | – | – | – |
| uric acid | – | V | – | – | – | – | – |
| myristic acid | – | – | – | – | – | – | – |
| L-phenylalanine | – | V | – | – | – | – | – |
| aconitic acid | – | V | – | – | – | – | – |
| succinic acid | – | – | – | – | – | – | – |
| L-isoleucine | – | – | – | – | – | – | – |
| palmitic acid | – | – | – | – | – | – | – |
| malonic acid | – | – | – | – | – | – | – |
| phosphoric acid | – | V | – | – | – | – | – |
| glycerol | – | – | – | – | – | – | – |
| N-acetyl glucosamine | – | – | – | – | – | – | – |
| D-glucose | – | – | – | – | – | – | – |
| 2-hydroxyisobutyric acid | – | V | – | – | – | – | – |
| 2-hydroxyphenylacetic acid | – | – | – | – | – | – | – |
| glyoxylic acid | – | – | – | – | – | – | – |
| 4-hydroxyproline | – | V | – | – | – | – | – |
| L-glycine | – | V | – | – | – | – | – |
| L-threonine | – | – | – | – | – | – | – |
| aspartic acid | – | V | – | – | – | – | – |
| malonic acid | – | – | – | – | – | – | – |
| oxalic acid | – | – | – | – | – | – | – |
| DL-ornithine | – | – | – | – | – | – | – |
| 4-hydroxyphenyllactic acid | – | – | – | – | – | – | – |
| butanoic acid | – | – | – | – | – | – | – |
| L-threonine | – | – | – | – | – | – | – |
| octanoic acid | – | V | – | – | – | – | – |
| adenosine | – | – | – | – | – | – | – |
| lauric acid | – | – | – | – | – | – | – |
| malic acid | – | V | – | – | – | – | – |
| stearic acid | – | – | – | – | – | – | – |
| glycerol | – | – | – | – | – | – | – |
| L-glutamic acid | – | V | – | – | – | – | – |
| 4-hydroxyproline | – | V | – | – | – | – | – |
| L-serine | – | – | – | – | – | – | – |
| L-glutamic acid | – | V | – | – | – | – | – |
| 2-propyl-glutaric acid | – | V | – | – | – | – | – |
| 4-hydroxyphenylacetic acid | – | – | – | – | – | – | – |
| L-isoleucine | – | – | – | – | – | – | – |
| myristic acid | – | – | – | – | – | – | – |
| L-threonine | – | – | – | – | – | – | – |
| 2-hexenedioic acid | – | V | – | – | – | – | – |
| 2-hydroxybutyric acid | – | – | – | – | – | – | – |
| L-leucine | – | – | – | – | – | – | – |
| 2-hydroxyisovaleric acid | – | V | – | – | – | – | – |
| L-cysteine | – | – | – | – | – | – | – |
| L-glutamine | – | – | – | – | – | – | – |
| L-tryptophan | – | – | – | – | – | – | – |
| L-valine | – | – | – | – | – | – | – |
| 2-propyl-glutaric acid | – | V | – | – | – | – | – |
| lactic acid | – | V | – | – | – | – | – |
| aspartic acid | – | V | – | – | – | – | – |
| L-phenylalanine | – | – | – | – | – | – | – |
| indol-3-acetic acid | – | – | – | – | – | – | – |
| aminomalonic acid | – | – | – | – | – | – | – |
| malonic acid | – | – | – | – | – | – | – |
| guanine | – | – | – | – | – | – | – |
| L-glycine | – | V | – | – | – | – | – |
| methionine | – | V | – | – | – | – | – |
| phosphoric acid | – | V | – | – | – | – | – |
| benzoic acid | – | V | – | – | – | – | – |
| glycolic acid | – | – | – | – | – | – | – |
| L-tyrosine | – | – | – | – | – | – | – |
| uracil | – | – | – | – | – | – | – |
| α-aminoadipic acid | – | – | – | – | – | – | – |
| 2-hydroxyisovaleric acid | – | V | – | – | – | – | – |
| N-acetylaspartic acid | – | – | – | – | – | – | – |
| thiodiglycolic acid | – | – | – | – | – | – | – |
| lauric acid | – | – | – | – | – | – | – |
| L-proline | – | V | – | – | – | – | – |
| ethanimidic acid | – | – | – | – | – | – | – |
| L-alanine | – | – | – | – | – | – | – |
| L-isoleucine | – | – | – | – | – | – | – |
| pyrimidine | – | – | – | – | – | – | – |
| 5-oxoproline | – | V | – | – | – | – | – |
| glycine | – | V | – | – | – | – | – |
| succinic acid | – | – | – | – | – | – | – |
| 5-oxoproline | – | V | – | – | – | – | – |
| 9h-purine | – | – | – | – | – | – | – |
| D-gluconic acid | – | – | – | – | – | – | – |
| D-ribose | – | – | – | – | – | – | – |
| L-isoleucine | – | – | – | – | – | – | – |
| L-proline | – | V | – | – | – | – | – |
| 4-hydroxyphenyllactic acid | – | – | – | – | – | – | – |
| propanoic acid | – | – | – | – | – | – | – |
| 3-hydroxybutyric acid | – | V | – | – | – | – | – |
| malic acid | – | V | – | – | – | – | – |
| malonic acid | – | – | – | – | – | – | – |
| aspartic acid | – | V | – | – | – | – | – |
| L-glutamic acid | – | V | – | – | – | – | – |
| 3-hydroxybutyric acid | – | V | – | – | – | – | – |
| sarcosine | – | V | – | – | – | – | – |
| glyceric acid | – | V | – | – | – | – | – |
| 2-hydroxyglutaric acid | – | – | – | – | – | – | – |
| fumaric acid | – | V | – | – | – | – | – |
| 5-oxoproline | – | V | – | – | – | – | – |
| L-proline | – | V | – | – | – | – | – |
| 2-hydroxyisobutyric acid | – | V | – | – | – | – | – |
| inosine | – | – | – | – | – | – | – |
| lauric acid | – | – | – | – | – | – | – |
| phosphoric acid | – | V | – | – | – | – | – |
| 2-hexenedioic acid | – | V | – | – | – | – | – |
| uric acid | – | V | – | – | – | – | – |
| uric acid | – | V | – | – | – | – | – |
| aspartic acid | – | V | – | – | – | – | – |
| malic acid | – | V | – | – | – | – | – |
| malic acid | – | V | – | – | – | – | – |
| sarcosine | – | V | – | – | – | – | – |
Paper graphical summary
