RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0126032
RefMet name	Corticosterone
Systematic name	11beta,21-dihydroxypregn-4-ene-3,20-dione
Synonyms	PubChem Synonyms
Sum Composition	ST 21:3;O4	View other entries in RefMet with this sum composition
Exact mass	346.214410 (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	C21H30O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	35465 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1- 2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
InChIKey	OMFXVFTZEKFJBZ-HJTSIMOOSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(C)C[C@@H]([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	C21 Steroids
Distribution of Corticosterone 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 Corticosterone
External Links
Pubchem CID	5753
LIPID MAPS	LMST02030186
ChEBI ID	16827
KEGG ID	C02140
HMDB ID	HMDB0001547
Chemspider ID	5550
MetaCyc ID	CORTICOSTERONE
EPA CompTox	DTXCID50209162
Spectral data for Corticosterone 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 Corticosterone

Rxn ID	KEGG Reaction	Enzyme
R03262	Corticosterone + 2 Reduced adrenal ferredoxin + Oxygen + 2 H+ <=> 18-Hydroxycorticosterone + 2 Oxidized adrenal ferredoxin + H2O	Corticosterone,reduced-adrenal-ferredoxin:oxygen oxidoreductase (18-hydroxylating)
R03847	Corticosterone + NAD+ <=> 11-Dehydrocorticosterone + NADH + H+	Corticosterone:NAD+ 11-oxidoreductase
R03848	Corticosterone + NADP+ <=> 11-Dehydrocorticosterone + NADPH + H+	Corticosterone:NADP+ 11-oxidoreductase
R03849	11beta-Hydroxyprogesterone + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> Corticosterone + [Oxidized NADPH---hemoprotein reductase] + H2O	11beta-hydroxyprogesterone,NADPH-hemoprotein reductase:oxygen oxidoreductase (21-hydroxylating)
R03851	11-Deoxycorticosterone + 2 Reduced ferredoxin + Oxygen + 2 H+ <=> Corticosterone + 2 Oxidized ferredoxin + H2O	11-deoxycorticosterone,reduced ferredoxin:oxygen oxidoreductase (11-hydroxylating)

Table of KEGG human pathways containing Corticosterone

Pathway ID	Human Pathway	# of reactions
hsa00140	Steroid hormone biosynthesis	5