Metabolite page

Showing information for HMDB0034263 ('triethyl citrate')

Metabolite information
HMDB ID	HMDB0034263
Synonyms	1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester 2-Hydroxy-1,2,3-propanetricarboxylic acid, triethyl ester Citric acid, triethyl ester Citroflex 2 Crodamol TC Ethyl citrate Ethyl citrate, citric acid triethyl ester Eudraflex FEMA 3083 Hydagen c.a.t Hydragen cat TEC Triaethylcitrat Triethyl 2-hydroxy-1,2,3-propanetricarboxylate Triethyl citrate (NF) Triethyl citric acid Triethylester kyseliny citronove Uniflex tec Uniplex 80 e1505
Chemical formula	C12H20O7
IUPAC name	1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate
CAS registry number	77-93-0
Monoisotopic molecular weight	276.120902994
Chemical taxonomy
Super class	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Sub class	Tricarboxylic acids and derivatives
Biological properties
Pathways (Pathway Details in HMDB)

The paper(s) that report HMDB0034263 as a lung cancer biomarker

Peralbo-Molina et al. 2016;

The studies that identify HMDB0034263 as a lung cancer-related metabolite

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
Peralbo-Molina et al. 2016	Spain	exhaled breath	diagnosis	adenocarcinoma, squamous cell carcinoma, large cell carcinoma, NSCLC, SCLC	–	48	45, 3	63 ± 7	–	healthy	61	53, 8	60 ± 9	non-smoker

Reference	Chromatography	Ion source	Positive/Negative mode	Mass analyzer	Identification level
Peralbo-Molina et al. 2016	GC	EI	–	Q-TOF	–

Reference	Data processing software	Database search
Peralbo-Molina et al. 2016	Mass Profiler Professional (Angilent), Quantitative Analysis (Angilent)	NIST 11, KEGG

Differential analysis
Classification analysis

Reference	Difference method	Mean concentration (case)	Mean concentration (control)	Fold change (case/control)	P-value	FDR	VIP
Peralbo-Molina et al. 2016	unpaired t-test, Fisher's exact, Mann–Whitney tests	–	–	4.70	9.73e-03	–	–

Reference	Classification method	Cutoff value	AUROC 95%CI	Sensitivity (%)	Specificity (%)	Accuracy (%)
Peralbo-Molina et al. 2016	Support-vector machine, ROC curve analysis	–	–	–	–	–