Metabolite information |
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| HMDB ID | HMDB0000076 |
| Synonyms |
2,4-Dioxotetrahydropyrimidine5,6-Dihydrouracil5,6-dihydro-2,4(1H,3H)-Pyrimidinedione5,6-dihydro-2,4-DihydroxypyrimidineDIHYDROPYRIMIDINE-2,4(1H,3H)-dioneDihydrouracileHydrouracildihydro-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 |
| Monoisotopic molecular weight | 114.042927446 |
Chemical taxonomy |
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| Super class | Organoheterocyclic compounds |
| Class | Diazines |
| Sub class | Pyrimidines and pyrimidine derivatives |
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 | ||||
| Ro?-Mazurczyk et al. 2017 | Poland | serum | diagnosis | adenocarcinoma, squamous cell carcinoma | I, II, III | 31 | 17, 14 | 52-72 | – | healthy | 92 | 52, 40 | 52-73 | – |
| 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 |
| Moreno et al. 2018 | Spain | 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 | – |
| Moreno et al. 2018 | Spain | 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 | – |
| Reference | Chromatography | Ion source | Positive/Negative mode | Mass analyzer | Identification level |
| Ro?-Mazurczyk et al. 2017 | GC | – | – | TOF | In-source fragmentation |
| Wikoff et al. 2015b | GC | EI | – | TOF | – |
| Moreno et al. 2018 | LC, GC | ESI, EI | both | LC: linear ion-trap, GC: single-quadrupole | LC: MS/MS |
| Moreno et al. 2018 | LC, GC | ESI, EI | both | LC: linear ion-trap, GC: single-quadrupole | LC: MS/MS |
| Reference | Data processing software | Database search |
| Ro?-Mazurczyk et al. 2017 | Leco ChromaTOF-GC | Replib, Mainlib and Fiehn libraries |
| Wikoff et al. 2015b | BinBase | NIST11, BinBase |
| Moreno et al. 2018 | – | KEGG, HMDB |
| Moreno et al. 2018 | – | KEGG, HMDB |
| Reference | Difference method | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
| Ro?-Mazurczyk et al. 2017 | two-sample T test, U Mann-Whitney test, Benjamini-Hochberg approach | 3.7831 ± 2.8928 | 5.8847 ± 7.2572 | 0.64 | 0.19 | 0.52 | – |
| Wikoff et al. 2015b | OPLS-DA | – | – | 2.40 | – | 2.40e-07 | – |
| Moreno et al. 2018 | paired two-sample t-test, PLS-DA | – | – | 3.78 | 1.60e-14 | 4.13e-13 | – |
| Moreno et al. 2018 | paired two-sample t-test, PLS-DA | – | – | 3.12 | 2.61e-12 | 3.81e-10 | – |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Ro?-Mazurczyk et al. 2017 | ROC curve | – | – | – | – | – |
| Wikoff et al. 2015b | – | – | – | – | – | – |
| Moreno et al. 2018 | – | – | – | – | – | – |
| Moreno et al. 2018 | – | – | – | – | – | – |