Metabolite page

Showing information for HMDB0001492 ('γ-tocopherol', 'gamma-tocopherol')

Metabolite information
HMDB ID	HMDB0001492
Synonyms	3,4-dihydro-2,7,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol 7,8-Dimethyltocol 7,8-dimethyltocolo-Xylotocopherol Abortosan Alcala brand OF tocopherol acetate Aliud brand OF tocopherol Antioxidans e-hevert Aquasol e Arkopharma brand OF tocopherol acetate AstraZeneca brand OF tocopherol acetate Atarost brand OF tocopherol acetate Ausrichter brand OF tocopherol Auxina e Balkanpharma brand OF tocopherol Bayer brand OF tocopherol acetate Biocur brand OF tocopherol acetate Biosan Bioweyxin Blackmores brand OF tocopherol Bottger brand OF tocopherol acetate Cambridge laboratories brand OF tocopherol actetate DL-a-Tocopherol DL-alpha-Tocopherol DL-α-tocopherol Dal e Dal vita brand OF vitamin e succinate Dal-e Dal-vita brand OF vitamin e succinate Davitamon Dermorelle Detulin Dragees, vitamin-e EUNOVA vitamin e EVI-mirale, vitamin-e Ecoro Elex verla Embial Ephynal Eplonat Equivit e Eu rho brand OF tocopherol Eusovit Evion GNR Pharma brand OF tocopherol actetate GNR-Pharma brand OF tocopherol actetate Grace brand OF tocopherol Grunwalder brand OF tocopherol Hervert brand OF tocopherol acetate Heyl brand OF tocopherol acetate Hydrovit e ICN brand OF tocopherol acetate Infirmarius rovit brand OF tocopherol Infirmarius-rovit brand OF tocopherol Internation animal health brand OF tocopherol acetate Jenapharm brand OF tocopherol Kentucky brand OF tocopherol Kohler brand OF tocopherol Lasar MIP brand OF tocopherol acetate Malton e Merck brand OF tocopherol acetate Methyltocols Micorvit e Mowivit vitamin e Mucos brand OF tocopherol acetate O-Xylotocopherol Organon brand OF tocopherol acetate Ratiopharm brand OF tocopherol Richelet brand OF tocopherol acetate Richtavit e Riemser brand OF tocopherol Roche nicholas brand OF tocopherol acetate Rodisma med brand OF tocopherol Rodisma-med brand OF tocopherol Sanavitan S Sanum kehlbeck brand OF tocopherol actetate Sanum-kehlbeck brand OF tocopherol actetate Schwarzhaupt brand OF tocopherol acetate Sciencex brand OF tocopherol acetate Scot tussin brand OF tocopherol acetate Scot-tussin brand OF tocopherol acetate Snow-e muscle, energy and feritility Spondyvit Stadapharm brand OF tocopherol Steigerwald brand OF tocopherol acetate Strathmann brand OF tocopherol Tocolion Tocopa Tocopharm Tocopherol Tocopherol ausrichter brand Tocopherol balkanpharma brand Tocopherol bayer Tocopherol grace brand Tocopherol grunwalder brand Tocopherol infirmarius-rovit brand Tocopherol kentucky brand Tocopherol ratiopharm brand Tocopherol rodisma-med brand Tocopherol stadapharm brand Tocopherol togal brand Tocopherol twardy brand Tocopherol verla brand Tocopherol wiedemann brand Tocopherol worwag brand Tocopherols Tocovital Togal brand OF tocopherol Togasan vitamin e Troyapharm brand OF tocopherol acetate Twardy brand OF tocopherol Unique e UnoVit Verla brand OF tocopherol Veyx brand OF tocopherol Vibolex Vit e hydrosol Vit. e stada Vita e Vita plus e Vita-e Vita-plus e VitaE VitaPlus e Vitagutt vitamin e Vitamin e MP Vitamin e al Vitamin e dragees Vitamin e evi mirale Vitamin e gamma Vitamin e natur Vitamin e sanum Vitamin e suspension Vitamin e, mowivit Vitamin e, togasan Vitamin e, vitagutt Vitamin e-MP Vitamin emp Vitamin-e dragees Vitamin-e evi-mirale Vitamine e GNR Vitazell Wiedemann brand OF tocopherol Wiedemann brand OF vitamin e succinate Woelm brand OF tocopherol acetate Worwag brand OF tocopherol adisseo Brand OF tocopherol bio e biopto-e e Ferol e Mulsin e Vicotrat e Vitamin e e-Ferol e-Mulsin e-Vicotrat e-Vitamin-ratiopharm g-Tocopherol medphano Brand OF tocopherol acetate puncto e uno Vit uno-Vit γ-tocopherol
Chemical formula	C28H48O2
IUPAC name	2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol
CAS registry number	1406-66-2
Monoisotopic molecular weight	416.36543078
Chemical taxonomy
Super class	Lipids and lipid-like molecules
Class	Prenol lipids
Sub class	Quinone and hydroquinone lipids
Biological properties
Pathways (Pathway Details in HMDB)

The paper(s) that report HMDB0001492 as a lung cancer biomarker

Wikoff et al. 2015b;

The studies that identify HMDB0001492 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
Miyamoto et al. 2015	US	blood	diagnosis	adenocarcinoma	unknown (mostly late stage)	18	10, 8	67 (50-85) / 62 (53-72)	former, current	healthy	20	8, 12	64 (49-80) / 66 (58-82)	former, current
Miyamoto et al. 2015	US	blood	diagnosis	NSCLC, SCLC, mesothelioma, secondary metastasis to lung	I, II, III, IV	11	4, 7	67 (61-73) / 67 (47-76)	smoker, non-smoker	healthy	11	5, 6	69 (61-83) / 54 (44-61)	unknown
Ro?-Mazurczyk et al. 2017	Poland	serum	diagnosis	adenocarcinoma, squamous cell carcinoma	I, II, III	31	17, 14	52-72	–	healthy	92	52, 40	52-73	–
Mazzone et al. 2016	US	serum	–	adenocarcinoma, squamous cell carcinoma	I, II, III	94	55.3%, 44.7%	68.7	–	at-risk controls	190	50.5%, 49.5%	66.2	–
Fahrmann et al. 2015	US	plasma	diagnosis	adenocarcinoma	I, II, III, IV	52	17, 35	65.9 ± 9.66	–	healthy	31	11, 20	64.1 ± 8.97	–
Fahrmann et al. 2015	US	plasma	diagnosis	adenocarcinoma	I, II, III, IV	43	21, 22	67.3 ± 10.10	–	healthy	43	21, 22	65.9 ± 8.05	–
Fahrmann et al. 2015	US	serum	diagnosis	adenocarcinoma	I, II, III, IV	49	17, 32	65.9 ± 9.87	–	healthy	31	11, 20	64.1 ± 8.97	–
Fahrmann et al. 2015	US	serum	diagnosis	adenocarcinoma	I, II, III, IV	43	21, 22	67.3 ± 10.10	–	healthy	43	21, 22	65.9 ± 8.05	–
Wikoff et al. 2015b	US	tissue	diagnosis	adenocarcinoma	I	39	15, 24	72.33 ± 8.78	smoker, non-smoker	tumor vs. adjacent normal tissue	39	15, 24	72.33 ± 8.78	smoker, non-smoker
Moreno et al. 2018	Spain	tissue	therapy, diagnosis	adenocarcinoma	I, II, III	33	24, 9	62.11 ± 9.73	–	tumor vs. adjacent normal tissue	33	24, 9	62.11 ± 9.73	–
Moreno et al. 2018	Spain	tissue	therapy, diagnosis	squamous cell carcinoma	I, II, III	35	35, 0	68.71 ± 7.46	–	tumor vs. adjacent normal tissue	35	35, 0	68.71 ± 7.46	–

Reference	Chromatography	Ion source	Positive/Negative mode	Mass analyzer	Identification level
Miyamoto et al. 2015	GC	EI	–	TOF	MS/MS
Miyamoto et al. 2015	GC	EI	–	TOF	MS/MS
Ro?-Mazurczyk et al. 2017	GC	–	–	TOF	In-source fragmentation
Mazzone et al. 2016	GC	EI	–	quadrupole	MS/MS
Fahrmann et al. 2015	GC	EI	–	TOF	–
Fahrmann et al. 2015	GC	EI	–	TOF	–
Fahrmann et al. 2015	GC	EI	–	TOF	–
Fahrmann et al. 2015	GC	EI	–	TOF	–
Wikoff et al. 2015b	GC	EI	–	TOF	–
Moreno et al. 2018	LC, GC	ESI, EI	both	LC: linear ion-trap, GC: single-quadrupole	LC: MS/MS
Moreno et al. 2018	LC, GC	ESI, EI	both	LC: linear ion-trap, GC: single-quadrupole	LC: MS/MS

Reference	Data processing software	Database search
Miyamoto et al. 2015	ChromaTOF software (Leco)	UC Davis Metabolomics BinBase database
Miyamoto et al. 2015	ChromaTOF software (Leco)	UC Davis Metabolomics BinBase database
Ro?-Mazurczyk et al. 2017	Leco ChromaTOF-GC	Replib, Mainlib and Fiehn libraries
Mazzone et al. 2016	Metabolon LIMS system	Metabolon LIMS system
Fahrmann et al. 2015	–	UC Davis Metabolomics BinBase database
Fahrmann et al. 2015	–	UC Davis Metabolomics BinBase database
Fahrmann et al. 2015	–	UC Davis Metabolomics BinBase database
Fahrmann et al. 2015	–	UC Davis Metabolomics BinBase database
Wikoff et al. 2015b	BinBase	NIST11, BinBase
Moreno et al. 2018	–	KEGG, HMDB
Moreno et al. 2018	–	KEGG, HMDB

Differential analysis
Classification analysis

Reference	Difference method	Mean concentration (case)	Mean concentration (control)	Fold change (case/control)	P-value	FDR	VIP
Miyamoto et al. 2015	Analysis of Covariance	2495.5	2312.9	1.08	0.29	–	–
Miyamoto et al. 2015	Analysis of Covariance	3330.18181818182	1468.72727272727	2.27	8.98e-03	–	–
Ro?-Mazurczyk et al. 2017	two-sample T test, U Mann-Whitney test, Benjamini-Hochberg approach	0.28104 ± 0.11558	0.40574 ± 0.28152	0.69	9.76e-03	0.12	–
Mazzone et al. 2016	two- sample independent t test	1.3036106± 0.7717303	0.9814279± 0.6415495	1.33	2.38e-04	0.02	–
Fahrmann et al. 2015	regress (by the covariates: age, gender and smoking history [packs per year]), permutation test	332 ± 235	393 ± 383	0.85	0.94	0.98	–
Fahrmann et al. 2015	regress (by the covariates: age, gender and smoking history [packs per year]), permutation test	382 ± 220	314 ± 179	1.22	0.03	0.14	–
Fahrmann et al. 2015	regress (by the covariates: age, gender and smoking history [packs per year]), permutation test	489 ± 867	412 ± 321	1.19	0.63	0.81	–
Fahrmann et al. 2015	regress (by the covariates: age, gender and smoking history [packs per year]), permutation test	556 ± 304	463 ± 286	1.20	0.03	0.19	–
Wikoff et al. 2015b	OPLS-DA	–	–	1.20	–	1.00e-02	–
Moreno et al. 2018	paired two-sample t-test, PLS-DA	–	–	1.23	0.02	0.03	–
Moreno et al. 2018	paired two-sample t-test, PLS-DA	–	–	1.09	0.48	0.52	–

Reference	Classification method	Cutoff value	AUROC 95%CI	Sensitivity (%)	Specificity (%)	Accuracy (%)
Miyamoto et al. 2015	–	–	–	–	–	–
Miyamoto et al. 2015	–	–	–	–	–	–
Ro?-Mazurczyk et al. 2017	ROC curve	–	–	–	–	–
Mazzone et al. 2016	–	–	–	–	–	–
Fahrmann et al. 2015	random forest	–	–	–	–	–
Fahrmann et al. 2015	random forest	–	–	–	–	–
Fahrmann et al. 2015	random forest	–	–	–	–	–
Fahrmann et al. 2015	random forest	–	–	–	–	–
Wikoff et al. 2015b	–	–	–	–	–	–
Moreno et al. 2018	–	–	–	–	–	–
Moreno et al. 2018	–	–	–	–	–	–