RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0018331
RefMet name	Testosterone
Systematic name	17beta-hydroxyandrost-4-en-3-one
Synonyms	PubChem Synonyms
Sum Composition	ST 19:2;O2	View other entries in RefMet with this sum composition
Exact mass	288.208930 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C19H28O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	35313 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,1 8-,19-/m0/s1
InChIKey	MUMGGOZAMZWBJJ-DYKIIFRCSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@H]([C@@]3(C)CC[C@H]21)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C19 Steroids
Distribution of Testosterone in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Testosterone
External Links
Pubchem CID	6013
LIPID MAPS	LMST02020002
ChEBI ID	17347
KEGG ID	C00535
HMDB ID	HMDB0000234
Chemspider ID	5791
MetaCyc ID	TESTOSTERONE
EPA CompTox	DTXCID30209140
Spectral data for Testosterone standards
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Testosterone

Rxn ID	KEGG Reaction	Enzyme
R01836	Testosterone + NAD+ <=> Androstenedione + NADH + H+	testosterone:NAD+ 17-oxidoreductase
R01838	Testosterone + NADP+ <=> Androstenedione + NADPH + H+	testosterone:NADP+ 17-oxidoreductase
R02497	Dihydrotestosterone + NADP+ <=> Testosterone + NADPH + H+	dihydrotestosterone:NADP+ delta4-oxidoreductase
R02498	5beta-Dihydrotestosterone + NADP+ <=> Testosterone + NADPH + H+	5beta-dihydrotestosterone:NADP+ 4,5-oxidoreductase
R02499	Testosterone + H+ + NADH <=> Androstenediol + NAD+	Testosterone delta5-delat4-isomerase
R02501	Testosterone + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> 19-Hydroxytestosterone + [Oxidized NADPH---hemoprotein reductase] + H2O	testosterone,NADPH---hemoprotein reductase:oxygen oxidoreductase (19-hydroxylating)
R02502	Testosterone + UDP-glucuronate <=> Testosterone glucuronide + UDP	17beta-hydroxysteroid UDP-glucuronosyltransferase

Table of KEGG human pathways containing Testosterone

Pathway ID	Human Pathway	# of reactions
hsa00140	Steroid hormone biosynthesis	7