RefMet Compound Details

MW structure	35470 (View MW Metabolite Database details)
RefMet name	11-Dehydrocorticosterone
SMILES	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(C(=O)CO)[C@@]3(C)CC(=O)[C@H]21   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum Composition	ST 21:4;O4	View other entries in RefMet with this sum composition
Exact mass	344.198760 (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	C21H28O4	View other entries in RefMet with this formula
InChI	InChI=1S/C21H28O4/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/h9,14-16,19,22H,3-8,10-11H2,1-2H3 /t14-,15-,16+,19+,20-,21-/m0/s1
InChIKey	FUFLCEKSBBHCMO-KJQYFISQSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C21 Steroids
Pubchem CID	5311364
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 11-Dehydrocorticosterone

Rxn ID	KEGG Reaction	Enzyme
R03847	Corticosterone + NAD+ <=> 11-Dehydrocorticosterone + NADH + H+	Corticosterone:NAD+ 11-oxidoreductase
R03848	Corticosterone + NADP+ <=> 11-Dehydrocorticosterone + NADPH + H+	Corticosterone:NADP+ 11-oxidoreductase

Table of KEGG human pathways containing 11-Dehydrocorticosterone

Pathway ID	Human Pathway	# of reactions
hsa00140	Steroid hormone biosynthesis	2