Metabolite information |
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| HMDB ID | HMDB0031206 |
| Synonyms |
1-PentanalAmyl aldehydeAmylaldehydeButyl formalCucurbitsCytoplasmaDigestionExtracellular regionFEMA 3098FaecalFaecesFaunaFecalFloraGourdsGramineaeN-C4H9CHON-PentanalN-ValeraldehydeN-Valeraldehyde, 8ciN-Valeric aldehydePNOPentan-1-alPentanal [valeraldehyde]Pentyl aldehydeSoySoyaSoya beanSoybeanStoolValeralValeraldehydeValerianic aldehydeValeric acid aldehydeValeric aldehydeValeryl aldehydeValerylaldehyde |
| Chemical formula | C5H10O |
| IUPAC name | pentanal |
| CAS registry number | 110-62-3 |
| Monisotopic molecular weight | 86.073164942 |
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 |
| Ligor et al. 2009 | – | exhaled breath | diagnosis | NSCLC, SCLC, mesothelioma, carcinoid | – | 65 | 41, 24 | – | former, current, non-smoker | healthy | 31 | – | – | former, current, non-smoker |
| Reference | Chromatography | Ion source | Positive/Negative mode | Mass analyzer | Identification level |
| Fuchs et al. 2010 | GC | EI | – | – | – |
| Ligor et al. 2009 | GC | EI | – | – | – |
| Reference | Data processing software | Database search |
| Fuchs et al. 2010 | – | – |
| Ligor et al. 2009 | – | 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 | – | – | – | 0.001 | – | – |
| Ligor et al. 2009 | – | – | – | – | – | – | – |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Fuchs et al. 2010 | – | 0.275 nmol/L | – | 75 | 95.8 | – |
| Ligor et al. 2009 | – | – | – | – | – | – |