RefMet Compound Details

MW structure	35438 (View MW Metabolite Database details)
RefMet name	Progesterone
Systematic name	pregn-4-ene-3,20-dione
SMILES	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum Composition	ST 21:3;O2	View other entries in RefMet with this sum composition
Exact mass	314.224580 (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	C21H30O2	View other entries in RefMet with this formula
InChI	InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19 -,20-,21+/m0/s1
InChIKey	RJKFOVLPORLFTN-LEKSSAKUSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C21 Steroids
Pubchem CID	5994
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Progesterone

Rxn ID	KEGG Reaction	Enzyme
R02209	20alpha-Hydroxy-4-pregnen-3-one + NADP+ <=> Progesterone + NADPH + H+	20alpha-Hydroxy-4-pregnen-3-one:NADP+ 20-oxidoreductase
R02207	20alpha-Hydroxy-4-pregnen-3-one + NAD+ <=> Progesterone + NADH + H+	20alpha-Hydroxy-4-pregnen-3-one:NAD+ 20-oxidoreductase
R02215	5beta-Pregnane-3,20-dione + Acceptor <=> Progesterone + Reduced acceptor	5beta-Pregnane-3,20-dione:(acceptor) delta4-oxidoreductase
R02213	Progesterone + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> 11-Deoxycorticosterone + [Oxidized NADPH---hemoprotein reductase] + H2O	progesterone,NADPH-hemoprotein reductase:oxygen oxidoreductase (21-hydroxylating)
R02208	5alpha-Pregnane-3,20-dione + NADP+ <=> Progesterone + NADPH + H+	5alpha-pregnane-3,20-dione:NADP+ delta4-oxidoreductase
R02219	Progesterone + NADPH + H+ <=> 5beta-Pregnane-3,20-dione + NADP+	3-Oxo-5beta-steroid:NADP+ delta4-oxidoreductase
R02211	Progesterone + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> 17alpha-Hydroxyprogesterone + [Oxidized NADPH---hemoprotein reductase] + H2O	progesterone,NADPH-hemoprotein reductase:oxygen oxidoreductase (17alpha-hydroxylating)
R02218	Progesterone + 2 Reduced ferredoxin + Oxygen + 2 H+ <=> 11beta-Hydroxyprogesterone + 2 Oxidized ferredoxin + H2O	progesterone,reduced ferredoxin:oxygen oxidoreductase (11-hydroxylating)
R02216	Pregnenolone + NAD+ <=> Progesterone + NADH + H+	Pregnenolone:NAD+ 3-oxidoreductase

Table of KEGG human pathways containing Progesterone

Pathway ID	Human Pathway	# of reactions
hsa00140	Steroid hormone biosynthesis	8
hsa01100	Metabolic pathways	3