Metabolite information |
|
HMDB ID | HMDB0001858 |
Synonyms |
1-Hydroxy-4-methylbenzene1-Methyl-4-hydroxybenzene4-Cresol4-Cresol, aluminum salt4-Cresol, potassium salt4-Cresol, sodium salt4-Hydroxytoluene4-Methyl phenol4-Methyl-phenol4-Methylphenol4-[Pentafluorosulfanyl]phenolAdiposeBody fatCellular membraneCephalalgiaCoffeeCoffee beanContaminantCutaneous [related but nor necessarily exact synonym]DigestionFaecalFaecesFat tissueFaunaFecalFloraGramineaeHaemodialysisHigh blood pressureHpnHtnHypoglycaemiaNasalP-CresylateP-Cresylic acidP-HydroxytolueneP-KresolP-Methyl phenolP-MethylhydroxybenzeneP-MethylphenolP-OxytolueneP-ToluolP-Tolyl alcoholPara-cresolParacresolParamethyl phenolPollutantPulmonarySkin contactStoolTopicalTransdermalUraemic toxin, uremic solutem-Cresol |
Chemical formula | C7H8O |
IUPAC name | 4-methylphenol |
CAS registry number | 106-44-5 |
Monisotopic molecular weight | 108.057514878 |
Chemical taxonomy |
|
Super class | Benzenoids |
Class | Phenols |
Sub class | Cresols |
Biological properties |
|
Pahtways |
|
Author-emphasized biomarker in the paper(s) |
|
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 | ||||
Fahrmann et al. 2015 | – | 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 | – | serum | diagnosis | adenocarcinoma | I, II, III, IV | 49 | 17, 32 | 65.9 ± 9.87 | – | healthy | 31 | 11, 20 | 64.1 ± 8.97 | – |
Peralbo-Molina et al. 2016 | – | exhaled breath | diagnosis | adenocarcinoma, squamous cell carcinoma, large cell carcinoma, NSCLC, SCLC | – | 48 | 45, 3 | 63 ± 7 | – | healthy | 61 | 53, 8 | 60 ± 9 | non-smoker |
Fahrmann et al. 2015 | – | 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 | – | plasma | diagnosis | adenocarcinoma | I, II, III, IV | 43 | 21, 22 | 67.3 ± 10.10 | – | healthy | 43 | 21, 22 | 65.9 ± 8.05 | – |
Chen et al. 2018 | – | serum | diagnosis | NSCLC | I, II | 90 | 40, 50 | 58.1 ± 9.0 | – | healthy | 90 | 42, 48 | 53.0 ± 11.8 | – |
Reference | Chromatography | Ion source | Positive/Negative mode | Mass analyzer | Identification level |
Fahrmann et al. 2015 | GC | EI | – | TOF | – |
Fahrmann et al. 2015 | GC | EI | – | TOF | – |
Peralbo-Molina et al. 2016 | GC | EI | – | Q-TOF | – |
Fahrmann et al. 2015 | GC | EI | – | TOF | – |
Fahrmann et al. 2015 | GC | EI | – | TOF | – |
Chen et al. 2018 | GC | EI | – | TOF | – |
Reference | Data processing software | Database search |
Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
Peralbo-Molina et al. 2016 | Mass Profiler Professional (Angilent), Quantitative Analysis (Angilent) | NIST 11, KEGG |
Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
Fahrmann et al. 2015 | – | UC Davis Metabolomics BinBase database |
Chen et al. 2018 | Chroma TOF | LECO-Fiehn Rtx 5 |
Reference | Difference method | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 878 ± 747 | 877 ± 480 | 1 | 0.483 | 0.781 | – |
Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | 1857 ± 2263 | 1945 ± 1700 | 0.96 | 0.161 | 0.502 | – |
Peralbo-Molina et al. 2016 | unpaired t-test, Fisher's exact, Mann–Whitney tests | – | – | 0.116253011950669 | 0.0009 | – | – |
Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | – | – | – | – | – | – |
Fahrmann et al. 2015 | regress (by the covariates: age, gender and smoking history [packs per year]), permutation test | – | – | – | – | – | – |
Chen et al. 2018 | PCA, OPLS-DA | – | – | 0.6 | – | – | 1.17 |
Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
Fahrmann et al. 2015 | random forest | – | – | – | – | – |
Fahrmann et al. 2015 | random forest | – | – | – | – | – |
Peralbo-Molina et al. 2016 | Support-vector machine, ROC curve analysis | – | – | – | – | – |
Fahrmann et al. 2015 | random forest | – | – | – | – | – |
Fahrmann et al. 2015 | random forest | – | – | – | – | – |
Chen et al. 2018 | ROC curve | – | – | – | – | – |