Metabolite page

Showing information for HMDB0002802 ('cortisone')

Metabolite information
HMDB ID	HMDB0002802
Synonyms	11-dehydro-17-Hydroxycorticosterone 17-Hydroxy-11-dehydrocorticosterone 17a,21-Dihydroxy-4-pregnene-3,11,20-trione 17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione 17α,21-dihydroxy-4-pregnene-3,11,20-trione 4-Pregnene-17a,21-diol-3,11,20-trione 4-Pregnene-17alpha,21-diol-3,11,20-trione 4-Pregnene-17α,21-diol-3,11,20-trione Adreson Andreson Anusol HC Balneol-HC Colocort Compound e Corlin Cortadren Cortandren Cortef Cortef acetate Cortisal Cortisate Cortison Cortisone acetate Cortistal Cortivite Cortogen Cortone Cortril Delta(4)-Pregnene-17alpha,21-diol-3,11,20-trione Dermacort Dricort Flexicort Florinef Fludrocortisone acetate Glycort Hemsol-HC Hi-cor Incortin Kendall'S compound Kendall's compound e Kortison Locoid Locoid lipocream Micort-HC Nogenic HC Orabase hca Pandel Pregn-4-en-17a,21-diol-3,11,20-trione Pregn-4-en-17alpha,21-diol-3,11,20-trione Pregn-4-en-17α,21-diol-3,11,20-trione Prestwick_132 Reichstein fa Reichstein's substance fa Scheroson Solu-cortef Stie-cort Texacort Westcort Wintersteiner's compound F beta-HC delta(4)-Pregnene-17a,21-diol-3,11,20-trione δ(4)-pregnene-17a,21-diol-3,11,20-trione δ(4)-pregnene-17α,21-diol-3,11,20-trione
Chemical formula	C21H28O5
IUPAC name	(1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,17-dione
CAS registry number	53-06-5
Monoisotopic molecular weight	360.193674006
Chemical taxonomy
Super class	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Sub class	Hydroxysteroids
Biological properties
Pathways (Pathway Details in HMDB)

The paper(s) that report HMDB0002802 as a lung cancer biomarker

Xiang et al. 2018;

The studies that identify HMDB0002802 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
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	–
Xiang et al. 2018	China	plasma	diagnosis	squamous cell carcinoma	I, II, III, IV	25	21, 4	59.8 (43-83)	former, current, non-smoker	healthy	56	35, 21	58 (47-80)	former, current, non-smoker
Xiang et al. 2018	China	plasma	diagnosis	squamous cell carcinoma	I, II, III, IV	22	16, 6	60.5 (42-73)	former, current, non-smoker	healthy	56	35, 21	59 (42-79)	former, current, non-smoker
Xiang et al. 2018	China	plasma	diagnosis	adenocarcinoma	I, II, III, IV	24	10, 14	59 (43-71)	former, current, non-smoker	healthy	56	35, 21	59 (42-79)	former, current, non-smoker
Xiang et al. 2018	China	plasma	diagnosis	adenocarcinoma	I, II, III, IV	28	16, 12	59 (44-80)	former, current, non-smoker	healthy	56	35, 21	58 (47-80)	former, current, non-smoker

Reference	Chromatography	Ion source	Positive/Negative mode	Mass analyzer	Identification level
Mazzone et al. 2016	LC	ESI	positive	linear ion-trap	MS/MS
Xiang et al. 2018	LC	ESI	both	LTQ-FT	–
Xiang et al. 2018	LC	ESI	both	LTQ-FT	–
Xiang et al. 2018	LC	ESI	both	LTQ-FT	–
Xiang et al. 2018	LC	ESI	both	LTQ-FT	–

Reference	Data processing software	Database search
Mazzone et al. 2016	Metabolon LIMS system	Metabolon LIMS system
Xiang et al. 2018	Analyst software	–
Xiang et al. 2018	Analyst software	–
Xiang et al. 2018	Analyst software	–
Xiang et al. 2018	Analyst software	–

Differential analysis
Classification analysis

Reference	Difference method	Mean concentration (case)	Mean concentration (control)	Fold change (case/control)	P-value	FDR	VIP
Mazzone et al. 2016	two- sample independent t test	1.042866± 0.3049293	0.9794105± 0.2590661	1.06	0.07	0.14	–
Xiang et al. 2018	independent sample t-tests, OPLS-DA	–	–	16.72	1.12e-23	–	2.32
Xiang et al. 2018	independent sample t-tests, OPLS-DA	–	–	11.26	4.30e-22	–	2.23
Xiang et al. 2018	independent sample t-tests, OPLS-DA	–	–	8.68	4.12e-20	–	2.55
Xiang et al. 2018	independent sample t-tests, OPLS-DA	–	–	4.13	1.49e-17	–	2.15

Reference	Classification method	Cutoff value	AUROC 95%CI	Sensitivity (%)	Specificity (%)	Accuracy (%)
Mazzone et al. 2016	–	–	–	–	–	–
Xiang et al. 2018	–	–	–	–	–	–
Xiang et al. 2018	–	–	–	–	–	–
Xiang et al. 2018	–	–	–	–	–	–
Xiang et al. 2018	–	–	–	–	–	–