RefMet Compound Details

RefMet ID	RM0159794
MW structure	35317 (View MW Metabolite Database details)
RefMet name	Androstenedione
Systematic name	androst-4-ene-3,17-dione
SMILES	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum Composition	ST 19:3;O2	View other entries in RefMet with this sum composition
Exact mass	286.193280 (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	C19H26O2	View other entries in RefMet with this formula
InChI	InChI=1S/C19H26O2/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/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/ m0/s1
InChIKey	AEMFNILZOJDQLW-QAGGRKNESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C19 Steroids
Pubchem CID	6128
ChEBI ID	16422
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Androstenedione

Rxn ID	KEGG Reaction	Enzyme
R01835	5beta-Androstane-3,17-dione + NADP+ <=> H+ + NADPH + Androstenedione	5beta-androstane-3,17-dione:NADP+ 4,5-oxidoreductase
R01836	Testosterone + NAD+ <=> Androstenedione + NADH + H+	testosterone:NAD+ 17-oxidoreductase
R01837	Dehydroepiandrosterone + NAD+ <=> Androstenedione + NADH + H+	3beta-Hydroxyandrost-5-en-17-one:NAD+ 3-oxidoreductase/delta5-delta-4 isomerase
R01838	Testosterone + NADP+ <=> Androstenedione + NADPH + H+	testosterone:NADP+ 17-oxidoreductase
R01840	Androstenedione + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> 19-Hydroxyandrost-4-ene-3,17-dione + [Oxidized NADPH---hemoprotein reductase] + H2O	androstenedione,NADPH---hemoprotein reductase:oxygen oxidoreductase (19-hydroxylating)
R02725	2 Reduced adrenal ferredoxin + Androstenedione + Oxygen + 2 H+ <=> 11beta-Hydroxyandrost-4-ene-3,17-dione + 2 Oxidized adrenal ferredoxin + H2O	Androstenedione,reduced-adrenal-ferredoxin:oxygen oxidoreductase (11-hydroxylating)
R08518	17alpha-Hydroxyprogesterone + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> Androstenedione + Acetate + [Oxidized NADPH---hemoprotein reductase] + H2O	17alpha-hydroxyprogesterone,NADPH---hemoprotein reductase:oxygen oxidoreductase (17alpha-hydroxylating, acetate-releasing)
R10242	5alpha-Androstane-3,17-dione + NADP+ <=> Androstenedione + NADPH + H+	5alpha-androstane-3,17-dione:NADP+ delta4-oxidoreductase

Table of KEGG human pathways containing Androstenedione

Pathway ID	Human Pathway	# of reactions
hsa00140	Steroid hormone biosynthesis	8