Showing information for HMDB0031206 ('n-pentanal', 'pentanal')

Metabolite information
HMDB ID HMDB0031206
Synonyms
1-Pentanal
Amyl aldehyde
Amylaldehyde
Butyl formal
FEMA 3098
N-C4H9CHO
N-Pentanal
N-Valeraldehyde
N-Valeraldehyde, 8ci
N-Valeric aldehyde
PNO
Pentan-1-al
Pentanal (valeraldehyde)
Pentyl aldehyde
Valeral
Valeraldehyde
Valerianic aldehyde
Valeric acid aldehyde
Valeric aldehyde
Valeryl aldehyde
Valerylaldehyde
Chemical formula C5H10O
IUPAC name
pentanal
CAS registry number 110-62-3
Monoisotopic molecular weight 86.073164942

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

Biological properties
Pathways (Pathway Details in HMDB)

The paper(s) that report HMDB0031206 as a lung cancer biomarker

The studies that identify HMDB0031206 as a lung cancer-related metabolite

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
Ligor et al. 2009 Austria exhaled breath diagnosis NSCLC, SCLC, mesothelioma, carcinoid – 65 41, 24 – former, current, non-smoker healthy 31 – – former, current, non-smoker
Fuchs et al. 2010 Germany exhaled breath diagnosis NSCLC, SCLC – 12 11, 1 – – healthy 24 10, 14 – smoker, non-smoker
Reference Chromatography Ion source Positive/Negative mode Mass analyzer Identification level
Ligor et al. 2009 GC EI – – –
Fuchs et al. 2010 GC EI – – –
Reference Data processing software Database search
Ligor et al. 2009 – NIST 2005
Fuchs et al. 2010 – –
Reference Difference method Mean concentration (case) Mean concentration (control) Fold change (case/control) P-value FDR VIP
Ligor et al. 2009 – – – – – – –
Fuchs et al. 2010 Kruskal–Wallis – – – 1.00e-03 – –
Reference Classification method Cutoff value AUROC 95%CI Sensitivity (%) Specificity (%) Accuracy (%)
Ligor et al. 2009 – – – – – –
Fuchs et al. 2010 – 0.275 nmol/L – 75 95.8 –