Metabolite information |
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| HMDB ID | HMDB0005994 |
| Synonyms |
CaproaldehydeCaproic aldehydeCapronaldehydeChronic renal diseaseCkdCsfCucurbitsCutaneous [related but nor necessarily exact synonym]DigestionFaecalFaecesFaunaFecalFloraGourdsGramineaeHexaldehydeHexanaldehydeHexylaldehydeLegumeN-CaproaldehydeN-HexanalN-HexylaldehydeNephropathyPapilionoideaeRenal diseaseSkin contactSoySoyaSoya beanSoybeanStoolTopicalTransdermal[Z]-Hex-3-enal[e]-2-Hexanale-2-Hexanal |
| Chemical formula | C6H12O |
| IUPAC name | hexanal |
| CAS registry number | 66-25-1 |
| Monisotopic molecular weight | 100.088815006 |
Chemical taxonomy |
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| Super class | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Sub class | Carbonyl compounds |
Biological properties |
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| Pahtways |
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| Author-emphasized biomarker in the paper(s) |
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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 | ||||
| Fuchs et al. 2010 | – | exhaled breath | diagnosis | NSCLC, SCLC | – | 12 | 11, 1 | – | – | healthy | 24 | 10, 14 | – | smoker, non-smoker |
| Filipiak et al. 2014 | – | tissue | diagnosis | NSCLC, SCLC | I, II, III, IV | 14 | 6, 8 | 67.7, 63.4 | smoker, non-smoker | tumor vs. adjacent normal tissue | 13 | 12, 16 | 52 ± 17 | former, non-smokers |
| Filipiak et al. 2014 | – | exhaled breath | diagnosis | SCLC, squamous cell carcinoma, adenocarcinoma, large cell carcinoma, mesothelioma, carcinoid | – | 36 | 25, 11 | 63 ± 7 | former, non-smokers | healthy | 28 | 12, 16 | 52 ± 17 | former, non-smokers |
| Reference | Chromatography | Ion source | Positive/Negative mode | Mass analyzer | Identification level |
| Fuchs et al. 2010 | GC | EI | – | – | – |
| Filipiak et al. 2014 | GC | – | – | – | – |
| Filipiak et al. 2014 | GC | – | – | – | – |
| Reference | Data processing software | Database search |
| Fuchs et al. 2010 | – | – |
| Filipiak et al. 2014 | – | NIST 2005 |
| Filipiak et al. 2014 | – | NIST 2005 |
| Reference | Difference method | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
| Fuchs et al. 2010 | Kruskal–Wallis | – | – | – | 0.006 | – | – |
| Filipiak et al. 2014 | Kruskal–Wallis test, Spearman | – | – | – | – | – | – |
| Filipiak et al. 2014 | Kruskal–Wallis test, Spearman | – | – | – | – | – | – |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Fuchs et al. 2010 | – | 1.208 nmol/L | – | 8.3 | 91.7 | – |
| Filipiak et al. 2014 | Kruskal–Wallis test, Spearman | – | – | – | – | – |
| Filipiak et al. 2014 | Kruskal–Wallis test, Spearman | – | – | – | – | – |