Showing information for HMDB0005994 ('hexanal')


Metabolite information

HMDB ID HMDB0005994
Synonyms
Caproaldehyde
Caproic aldehyde
Capronaldehyde
Chronic renal disease
Ckd
Csf
Cucurbits
Cutaneous [related but nor necessarily exact synonym]
Digestion
Faecal
Faeces
Fauna
Fecal
Flora
Gourds
Gramineae
Hexaldehyde
Hexanaldehyde
Hexylaldehyde
Legume
N-Caproaldehyde
N-Hexanal
N-Hexylaldehyde
Nephropathy
Papilionoideae
Renal disease
Skin contact
Soy
Soya
Soya bean
Soybean
Stool
Topical
Transdermal
[Z]-Hex-3-enal
[e]-2-Hexanal
e-2-Hexanal
Chemical formula C6H12O
IUPAC name
hexanal
CAS registry number 66-25-1
Monisotopic molecular weight 100.088815006

Chemical taxonomy

Super class Organic oxygen compounds
Class Organooxygen compounds
Sub class Carbonyl compounds

Biological properties

Pahtways
Author-emphasized biomarker in the paper(s)

Lung cancer metabolomics studies that identify HMDB0005994 ('hexanal')


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