Metabolite information |
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| HMDB ID | HMDB0006115 |
| Synonyms |
Almond artificial essential oilArtificial almond oilArtificial bitter almond oilArtificial essential oil OF almondBEZBenzadehydeBenzaldehyde FFCBenzaldehyde, formyl-[14]C-labeledBenzanoaldehydeBenzene carbaldehydeBenzene carboxaldehydeBenzene methylalBenzenecarbonalBenzenecarboxaldehydeBenzenemethylalBenzoateBenzoate aldehydeBenzoic acidBenzoic acid aldehydeBenzoic aldehydeBenzoyl hydrideBenzyaldehydeBenzylaldehydeCaswell no. 076CucurbitsDigestionEthereal oil OF bitter almondsFEMA no. 2127FaecalFaecesFaunaFecalFloraGourdsGramineaeLegumeOil OF bitter almondPapilionoideaePhenylformaldehydePhenylmethanalPhenylmethanal benzenecarboxaldehydeSoySoyaSoya beanSoybeanStoolSynthetic oil OF bitter almond |
| Chemical formula | C7H6O |
| IUPAC name | benzaldehyde |
| CAS registry number | 100-52-7 |
| Monisotopic molecular weight | 106.041864814 |
Chemical taxonomy |
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| Super class | Benzenoids |
| Class | Benzene and substituted derivatives |
| Sub class | Benzoyl derivatives |
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 | ||||
| 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 | – |
| 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 |
| Ligor et al. 2009 | – | exhaled breath | diagnosis | NSCLC, SCLC, mesothelioma, carcinoid | – | 65 | 41, 24 | – | former, current, non-smoker | healthy | 31 | – | – | former, current, non-smoker |
| 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 |
| Roś-Mazurczyk et al. 2017 | GC | – | – | TOF | In-source fragmentation |
| Filipiak et al. 2014 | GC | – | – | – | – |
| Ligor et al. 2009 | GC | EI | – | – | – |
| Filipiak et al. 2014 | GC | – | – | – | – |
| Reference | Data processing software | Database search |
| Roś-Mazurczyk et al. 2017 | Leco ChromaTOF-GC | Replib, Mainlib and Fiehn libraries |
| Filipiak et al. 2014 | – | NIST 2005 |
| Ligor et al. 2009 | – | 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 |
| Roś-Mazurczyk et al. 2017 | two-sample T test, U Mann-Whitney test, Benjamini-Hochberg approach | 1.6015 ± 0.66405 | 0.9599 ± 0.77073 | 1.66840295864153 | 0.00000942 | 0.00065959 | – |
| Filipiak et al. 2014 | Kruskal–Wallis test, Spearman | – | – | – | – | – | – |
| Ligor et al. 2009 | – | – | – | – | – | – | – |
| Filipiak et al. 2014 | Kruskal–Wallis test, Spearman | – | – | – | – | – | – |
| Reference | Classification method | Cutoff value | AUROC 95%CI | Sensitivity (%) | Specificity (%) | Accuracy (%) |
| Roś-Mazurczyk et al. 2017 | ROC curve | – | – | combination of nine metabolites: 100 | combination of nine metabolites: 86 | – |
| Filipiak et al. 2014 | Kruskal–Wallis test, Spearman | – | – | – | – | – |
| Ligor et al. 2009 | – | – | – | – | – | – |
| Filipiak et al. 2014 | Kruskal–Wallis test, Spearman | – | – | – | – | – |