RefMet Compound Details

MW structure35391 (View MW Metabolite Database details)
RefMet name11-Deoxycorticosterone
Systematic name21-hydroxypregn-4-ene-3,20-dione
SMILESC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(C)CC[C@H]21   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionST 21:3;O3 View other entries in RefMet with this sum composition
Exact mass330.219495 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC21H30O3View other entries in RefMet with this formula
InChIInChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,1
6-,17-,18+,20-,21-/m0/s1
InChIKeyZESRJSPZRDMNHY-YFWFAHHUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSterol Lipids
Main ClassSteroids
Sub ClassC21 Steroids
Pubchem CID6166
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 11-Deoxycorticosterone

Rxn IDKEGG ReactionEnzyme
R02213 Progesterone + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> 11-Deoxycorticosterone + [Oxidized NADPH---hemoprotein reductase] + H2Oprogesterone,NADPH-hemoprotein reductase:oxygen oxidoreductase (21-hydroxylating)
R03851 11-Deoxycorticosterone + 2 Reduced ferredoxin + Oxygen + 2 H+ <=> Corticosterone + 2 Oxidized ferredoxin + H2O11-deoxycorticosterone,reduced ferredoxin:oxygen oxidoreductase (11-hydroxylating)
R04163 21-Hydroxypregnenolone + NAD+ <=> 11-Deoxycorticosterone + NADH + H+21-Hydroxypregnenolone:NAD+ 3-oxidoreductase
R08954 11-Deoxycorticosterone + NADPH + H+ <=> 5alpha-Dihydrodeoxycorticosterone + NADP+5alpha-dihydrodeoxycorticosterone:NADP+ delta4-oxidoreductase

Table of KEGG human pathways containing 11-Deoxycorticosterone

Pathway IDHuman Pathway# of reactions
hsa00140 Steroid hormone biosynthesis 4
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