Metabolite information |
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HMDB ID | HMDB0004362 |
Synonyms |
(e)-4-Hydroxy-2-nonenal4-HNE CPD4-Hydroxy-2,3-nonenal4-Hydroxy-2,3-trans-nonenal4-Hydroxy-2-nonenal4-Hydroxy-2-nonenal, (e)-isomer4-Hydroxynon-2-enal4-Hydroxynonen-2-alHNEtrans-4-Hydroxy-2-nonenal |
Chemical formula | C9H16O2 |
IUPAC name | (2E)-4-hydroxynon-2-enal |
CAS registry number | 75899-68-2 |
Monoisotopic molecular weight | 156.115029756 |
Chemical taxonomy |
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Super class | Lipids and lipid-like molecules |
Class | Fatty Acyls |
Sub class | Fatty alcohols |
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 | ||||
Li et al. 2015 | US | exhaled breath | diagnosis | lung cancer | I, II, III, IV | 85 | 46, 39 | 66.12 ± 10.1 | former, current, non-smoker | healthy | 85 | 43, 42 | 42.15 ± 14.2 | current, non-smoker |
Li et al. 2015 | US | exhaled breath | diagnosis | lung cancer | I, II, III, IV | 85 | 46, 39 | 66.12 ± 10.1 | former, current, non-smoker | healthy | 45 | – | – | current |
Li et al. 2015 | US | exhaled breath | diagnosis | lung cancer | I, II, III, IV | 85 | 46, 39 | 66.12 ± 10.1 | former, current, non-smoker | healthy | 40 | – | – | non-smoker |
Reference | Chromatography | Ion source | Positive/Negative mode | Mass analyzer | Identification level |
Li et al. 2015 | DI | nano-ESI | – | LTQ-FT-ICR | MS/MS |
Li et al. 2015 | DI | nano-ESI | – | LTQ-FT-ICR | MS/MS |
Li et al. 2015 | DI | nano-ESI | – | LTQ-FT-ICR | MS/MS |
Reference | Data processing software | Database search |
Li et al. 2015 | – | – |
Li et al. 2015 | – | – |
Li et al. 2015 | – | – |
Reference | Difference method | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
Li et al. 2015 | Kruskal-Wallis test | – | – | – | – | – | – |
Li et al. 2015 | Kruskal-Wallis test | – | – | – | – | – | – |
Li et al. 2015 | Kruskal-Wallis test | – | – | – | – | – | – |
Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
Li et al. 2015 | ROC curve | 0.00175 | 0.696 | – | – | – |
Li et al. 2015 | ROC curve | 0.000285 | 0.826 | – | – | – |
Li et al. 2015 | ROC curve | 0.000255 | 0.842 | – | – | – |