Metabolite page

Showing information for HMDB0000820 ('1-propanol')

Metabolite information
HMDB ID	HMDB0000820
Synonyms	1 Propanol 1-Hydroxypropane 1-Propanol 1-Propyl alcohol Alcohol, propyl Cucurbits Digestion Ethyl carbinol Ethylcarbinol Faecal Faeces Fauna Fecal Flora Gourds Gramineae Hydroxypropane Legume N Propanol N-Propan-1-ol N-Propanol N-Propyl alcohol N-Propylalkohol Optal Osmosol extra Papilionoideae Propan-1-ol Propane-1-ol Propanol Propanol-1 Propanole Propanolen Propylan-propyl alcohol Propylic alcohol Soy Soya Soya bean Soybean Stool UN 1274
Chemical formula	C3H8O
IUPAC name	propan-1-ol
CAS registry number	71-23-8
Monisotopic molecular weight	60.057514878
Chemical taxonomy
Super class	Organic oxygen compounds
Class	Organooxygen compounds
Sub class	Alcohols and polyols
Biological properties
Pahtways	Sulfate/Sulfite Metabolism Sulfite oxidase deficiency
Author-emphasized biomarker in the paper(s)	Ligor et al. 2009

Lung cancer metabolomics studies that identify HMDB0000820 ('1-propanol')

Reference	Country	Specimen	Marker function	Participants (Case)						Participants (Control)
Reference	Country	Specimen	Marker function	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	–	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
Ligor et al. 2009	GC	EI	–	–	–

Reference	Data processing software	Database search
Ligor et al. 2009	–	NIST 2005

Differential analysis
Classification analysis

Reference	Difference method	Mean concentration (case)	Mean concentration (control)	Fold change (case/control)	P-value	FDR	VIP
Ligor et al. 2009	–	–	–	–	–	–	–

Reference	Classification method	Cutoff value	AUROC 95%CI	Sensitivity (%)	Specificity (%)	Accuracy (%)
Ligor et al. 2009	–	–	–	–	–	–