RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135765
RefMet name	Androstanedione
Systematic name	5alpha-androstane-3,17-dione
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	35364 (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/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-, 19-/m0/s1
InChIKey	RAJWOBJTTGJROA-WZNAKSSCSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 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 Androstanedione in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Androstanedione
External Links
Pubchem CID	222865
LIPID MAPS	LMST02020085
ChEBI ID	15994
KEGG ID	C00674
HMDB ID	HMDB0000899
Chemspider ID	193520
MetaCyc ID	CPD-342
Spectral data for Androstanedione 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 Androstanedione

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
R10242	5alpha-Androstane-3,17-dione + NADP+ <=> Androstenedione + NADPH + H+	5alpha-androstane-3,17-dione:NADP+ delta4-oxidoreductase

Table of KEGG human pathways containing Androstanedione

Pathway ID	Human Pathway	# of reactions
hsa00140	Steroid hormone biosynthesis	3
hsa01100	Metabolic pathways	2