Metabolite information |
|
| HMDB ID | HMDB0000076 |
| Synonyms |
2,4-Dioxotetrahydropyrimidine5,6-Dihydrouracil5,6-dihydro-2,4-Dihydroxypyrimidine5,6-dihydro-2,4[1H,3H]-PyrimidinedioneCell nucleusCsfCucurbitsCytoplasmaDIHYDROPYRIMIDINE-2,4[1H,3H]-dioneDigestionDihydropyrimidine dehydrogenase [dpd] deficiencyDihydrouracileDpd deficiencyFaunaFloraGourdsGramineaeHigh blood pressureHpnHtnHydrouracilKidneysLegumeNucleicPapilionoideaeProstate glandSoySoyaSoya beanSoybeandihydro-2,4[1H,3H]-Pyrimidinedionedihydro-Pyrimidine-2,4-dione |
| Chemical formula | C4H6N2O2 |
| IUPAC name | 1,3-diazinane-2,4-dione |
| CAS registry number | 504-07-4 |
| Monisotopic molecular weight | 114.042927446 |
Chemical taxonomy |
|
| Super class | Organoheterocyclic compounds |
| Class | Diazines |
| Sub class | Pyrimidines and pyrimidine derivatives |
Biological properties |
|
| Pahtways |
Beta Ureidopropionase DeficiencyBeta-Alanine MetabolismCarnosinuria, carnosinemiaDihydropyrimidinase DeficiencyGABA-Transaminase DeficiencyMNGIE [Mitochondrial Neurogastrointestinal Encephalopathy]Pyrimidine MetabolismUMP Synthase Deficiency [Orotic Aciduria]Ureidopropionase Deficiency |
| 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 | ||||
| Roś-Mazurczyk et al. 2017 | – | serum | diagnosis | adenocarcinoma, squamous cell carcinoma | I, II, III | 31 | 17, 14 | 52-72 | – | healthy | 92 | 52, 40 | 52-73 | – |
| Moreno et al. 2018 | – | tissue | therapy, diagnosis | adenocarcinoma | I, II, III | 33 | 24, 9 | 62.11 ± 9.73 | – | tumor vs. adjacent normal tissue | 33 | 24, 9 | 62.11 ± 9.73 | – |
| Moreno et al. 2018 | – | tissue | therapy, diagnosis | squamous cell carcinoma | I, II, III | 35 | 35, 0 | 68.71 ± 7.46 | – | tumor vs. adjacent normal tissue | 35 | 35, 0 | 68.71 ± 7.46 | – |
| Wikoff et al. 2015b | – | 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 |
| Reference | Chromatography | Ion source | Positive/Negative mode | Mass analyzer | Identification level |
| Roś-Mazurczyk et al. 2017 | GC | – | – | TOF | In-source fragmentation |
| Moreno et al. 2018 | LC, GC | ESI, EI | positive, negative | LC: linear ion‐trap, GC: single‐quadrupole | LC: MS/MS |
| Moreno et al. 2018 | LC, GC | ESI, EI | positive, negative | LC: linear ion‐trap, GC: single‐quadrupole | LC: MS/MS |
| Wikoff et al. 2015b | GC | EI | – | TOF | – |
| Reference | Data processing software | Database search |
| Roś-Mazurczyk et al. 2017 | Leco ChromaTOF-GC | Replib, Mainlib and Fiehn libraries |
| Moreno et al. 2018 | – | KEGG, HMDB |
| Moreno et al. 2018 | – | KEGG, HMDB |
| Wikoff et al. 2015b | BinBase | NIST11, BinBase |
| Reference | Difference method | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
| Roś-Mazurczyk et al. 2017 | two-sample T test, U Mann-Whitney test, Benjamini-Hochberg approach | 3.7831 ± 2.8928 | 5.8847 ± 7.2572 | 0.642870494672625 | 0.19068 | 0.52343 | – |
| Moreno et al. 2018 | paired two‐sample t‐test, PLS-DA | – | – | 3.12114737855437 | 0.00000000000260704859352441 | 0.000000000381498110852405 | – |
| Moreno et al. 2018 | paired two‐sample t‐test, PLS-DA | – | – | 3.78325181285149 | 0.0000000000000160338418444302 | 0.000000000000412742122317914 | – |
| Wikoff et al. 2015b | OPLS-DA | – | – | 2.4 | – | 0.00000024 | – |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Roś-Mazurczyk et al. 2017 | ROC curve | – | – | – | – | – |
| Moreno et al. 2018 | – | – | – | – | – | – |
| Moreno et al. 2018 | – | – | – | – | – | – |
| Wikoff et al. 2015b | – | – | – | – | – | – |