Metabolite information |
|
| HMDB ID | HMDB0004136 |
| Synonyms |
(-)-Threitol(R*,r*)-1,2,3,4-butanetetrolD-threo-TetritolThreitThreitolThreitol, ((r*,r*)-(+-))-isomerThreitol, (R-(r*,r*))-isomer |
| Chemical formula | C4H10O4 |
| IUPAC name | (2R,3R)-butane-1,2,3,4-tetrol |
| CAS registry number | 2418-52-2 |
| Monoisotopic molecular weight | 122.057908808 |
Chemical taxonomy |
|
| Super class | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Sub class | Carbohydrates and carbohydrate conjugates |
Biological properties |
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| Pathways (Pathway Details in HMDB) |
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| Reference | Country | Specimen | Marker function | Participants (Case) | Participants (Control) | |||||||||
| Cancer type | Stage | Number | Gender (M,F) | Age mean (range) (M/F) | Smoking status | Type | Number | Gender (M,F) | Age mean (range) (M/F) | Smoking status | ||||
| Miyamoto et al. 2015 | US | blood | diagnosis | NSCLC, SCLC, mesothelioma, secondary metastasis to lung | I, II, III, IV | 11 | 4, 7 | 67 (61-73) / 67 (47-76) | smoker, non-smoker | healthy | 11 | 5, 6 | 69 (61-83) / 54 (44-61) | unknown |
| Miyamoto et al. 2015 | US | blood | diagnosis | adenocarcinoma | unknown (mostly late stage) | 18 | 10, 8 | 67 (50-85) / 62 (53-72) | former, current | healthy | 20 | 8, 12 | 64 (49-80) / 66 (58-82) | former, current |
| Mazzone et al. 2016 | US | serum | – | adenocarcinoma, squamous cell carcinoma | I, II, III | 94 | 55.3%, 44.7% | 68.7 | – | at-risk controls | 190 | 50.5%, 49.5% | 66.2 | – |
| Fahrmann et al. 2015 | US | plasma | diagnosis | adenocarcinoma | I, II, III, IV | 43 | 21, 22 | 67.3 ± 10.10 | – | healthy | 43 | 21, 22 | 65.9 ± 8.05 | – |
| Fahrmann et al. 2015 | US | serum | diagnosis | adenocarcinoma | I, II, III, IV | 43 | 21, 22 | 67.3 ± 10.10 | – | healthy | 43 | 21, 22 | 65.9 ± 8.05 | – |
| Fahrmann et al. 2015 | US | plasma | diagnosis | adenocarcinoma | I, II, III, IV | 52 | 17, 35 | 65.9 ± 9.66 | – | healthy | 31 | 11, 20 | 64.1 ± 8.97 | – |
| Fahrmann et al. 2015 | US | serum | diagnosis | adenocarcinoma | I, II, III, IV | 49 | 17, 32 | 65.9 ± 9.87 | – | healthy | 31 | 11, 20 | 64.1 ± 8.97 | – |
| Wikoff et al. 2015b | US | tissue | diagnosis | adenocarcinoma | I | 39 | 15, 24 | 72.33 ± 8.78 | smoker, non-smoker | tumor vs. adjacent normal tissue | 39 | 15, 24 | 72.33 ± 8.78 | smoker, non-smoker |
| Sun et al. 2019 | China | serum | diagnosis | lung cancer | I, II, III, IV | 31 | 21, 10 | 54.1 ± 9.9 | smoker, non-smoker | healthy | 29 | 15, 14 | 52.1 ± 14.6 | smoker, non-smoker |
| Reference | Chromatography | Ion source | Positive/Negative mode | Mass analyzer | Identification level |
| Miyamoto et al. 2015 | GC | EI | – | TOF | MS/MS |
| Miyamoto et al. 2015 | GC | EI | – | TOF | MS/MS |
| Mazzone et al. 2016 | GC | EI | – | quadrupole | MS/MS |
| Fahrmann et al. 2015 | GC | EI | – | TOF | – |
| Fahrmann et al. 2015 | GC | EI | – | TOF | – |
| Fahrmann et al. 2015 | GC | EI | – | TOF | – |
| Fahrmann et al. 2015 | GC | EI | – | TOF | – |
| Wikoff et al. 2015b | GC | EI | – | TOF | – |
| Sun et al. 2019 | GC | – | – | – | – |
| Reference | Data processing software | Database search |
| Miyamoto et al. 2015 | ChromaTOF software (Leco) | UC Davis Metabolomics BinBase database |
| Miyamoto et al. 2015 | ChromaTOF software (Leco) | UC Davis Metabolomics BinBase database |
| Mazzone et al. 2016 | Metabolon LIMS system | Metabolon LIMS system |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
| Wikoff et al. 2015b | BinBase | NIST11, BinBase |
| Sun et al. 2019 | – | BinBase, KEGG |
| Reference | Difference method | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
| Miyamoto et al. 2015 | Analysis of Covariance | 1619.72727272727 | 1800.63636363636 | 0.90 | 0.21 | – | – |
| Miyamoto et al. 2015 | Analysis of Covariance | 1812.11111111111 | 1618.4 | 1.12 | 0.68 | – | – |
| Mazzone et al. 2016 | two- sample independent t test | 1.139887± 0.9612257 | 1.263906± 0.8927664 | 0.90 | 0.28 | 0.40 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 197 ± 121 | 206 ± 92 | 0.96 | 0.40 | 0.66 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 321 ± 249 | 316 ± 148 | 1.01 | 0.79 | 0.94 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 333 ± 305 | 341 ± 198 | 0.98 | 0.47 | 0.78 | – |
| Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 346 ± 272 | 387 ± 223 | 0.89 | 0.14 | 0.49 | – |
| Wikoff et al. 2015b | OPLS-DA | – | – | 1.10 | – | 0.18 | – |
| Sun et al. 2019 | Student t test, PLS-DA | – | – | 4.05 | 1.06e-10 | 3.58e-09 | 1.35 |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Miyamoto et al. 2015 | – | – | – | – | – | – |
| Miyamoto et al. 2015 | – | – | – | – | – | – |
| Mazzone et al. 2016 | – | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Fahrmann et al. 2015 | random forest | – | – | – | – | – |
| Wikoff et al. 2015b | – | – | – | – | – | – |
| Sun et al. 2019 | ROC curve analysis | – | – | – | – | – |