RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135671
RefMet name	Progesterone
Systematic name	pregn-4-ene-3,20-dione
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	35438 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C21 Steroids
Distribution of Progesterone 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 Progesterone
External Links
Pubchem CID	5994
LIPID MAPS	LMST02030159
ChEBI ID	17026
KEGG ID	C00410
HMDB ID	HMDB0001830
Chemspider ID	5773
MetaCyc ID	PROGESTERONE
EPA CompTox	DTXCID20208869
Spectral data for Progesterone 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 Progesterone

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

Table of KEGG human pathways containing Progesterone

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