Showing information for HMDB0001858 ('p-cresol')


Metabolite information

HMDB ID HMDB0001858
Synonyms
1-Hydroxy-4-methylbenzene
1-Methyl-4-hydroxybenzene
4-Cresol
4-Cresol, aluminum salt
4-Cresol, potassium salt
4-Cresol, sodium salt
4-Hydroxytoluene
4-Methyl phenol
4-Methyl-phenol
4-Methylphenol
4-[Pentafluorosulfanyl]phenol
Adipose
Body fat
Cellular membrane
Cephalalgia
Coffee
Coffee bean
Contaminant
Cutaneous [related but nor necessarily exact synonym]
Digestion
Faecal
Faeces
Fat tissue
Fauna
Fecal
Flora
Gramineae
Haemodialysis
High blood pressure
Hpn
Htn
Hypoglycaemia
Nasal
P-Cresylate
P-Cresylic acid
P-Hydroxytoluene
P-Kresol
P-Methyl phenol
P-Methylhydroxybenzene
P-Methylphenol
P-Oxytoluene
P-Toluol
P-Tolyl alcohol
Para-cresol
Paracresol
Paramethyl phenol
Pollutant
Pulmonary
Skin contact
Stool
Topical
Transdermal
Uraemic toxin, uremic solute
m-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)

Lung cancer metabolomics studies that identify HMDB0001858 ('p-cresol')


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