RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0158404
RefMet name	Androsterone
Systematic name	3alpha-hydroxy-5alpha-androstan-17-one
Synonyms	PubChem Synonyms
Sum Composition	ST 19:1;O2	View other entries in RefMet with this sum composition
Exact mass	290.224580 (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	C19H30O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	35312 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C19H30O2/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/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-, 18-,19-/m0/s1
InChIKey	QGXBDMJGAMFCBF-HLUDHZFRSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@]12CC[C@H](C[C@@H]1CC[C@H]1[C@@H]3CCC(=O)[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 Androsterone in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Androsterone
External Links
Pubchem CID	5879
LIPID MAPS	LMST02020001
ChEBI ID	16032
KEGG ID	C00523
HMDB ID	HMDB0000031
MetaCyc ID	ANDROSTERONE
EPA CompTox	DTXCID70209568
Spectral data for Androsterone standards
BMRB ID(NMR)	View NMR spectra
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 Androsterone

Rxn ID	KEGG Reaction	Enzyme
R02476	Androsterone + NAD+ <=> 5alpha-Androstane-3,17-dione + NADH + H+	Androsterone:NAD+ oxidoreductase
R02477	Androsterone + NADP+ <=> 5alpha-Androstane-3,17-dione + NADPH + H+	Androsterone:NADP+ oxidoreductase
R02478	Androsterone + UDP-glucuronate <=> Androsterone glucuronide + UDP	UDPglucuronate beta-D-glucuronosyltransferase(acceptor-unspecific)
R13039	Androstan-3alpha,17beta-diol + NAD+ <=> Androsterone + NADH + H+	hydroxysteroid 17beta dehydrogenase 11 [EC:1.1.1.-]

Table of KEGG human pathways containing Androsterone

Pathway ID	Human Pathway	# of reactions
hsa00140	Steroid hormone biosynthesis	4
hsa01100	Metabolic pathways	2