RefMet Compound Details

MW structure35347 (View MW Metabolite Database details)
RefMet name11beta-Hydroxyandrost-4-ene-3,17-dione
Systematic name11beta-hydroxyandrost-4-ene-3,17-dione
SMILESC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)C[C@@H]([C@H]21)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionST 19:3;O3 View other entries in RefMet with this sum composition
Exact mass302.188195 (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
FormulaC19H26O3View other entries in RefMet with this formula
InChIInChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15
-,17+,18-,19-/m0/s1
InChIKeyWSCUHXPGYUMQEX-KCZNZURUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSterol Lipids
Main ClassSteroids
Sub ClassC19 Steroids
Pubchem CID94141
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 11beta-Hydroxyandrost-4-ene-3,17-dione

Rxn IDKEGG ReactionEnzyme
R02725 2 Reduced adrenal ferredoxin + Androstenedione + Oxygen + 2 H+ <=> 11beta-Hydroxyandrost-4-ene-3,17-dione + 2 Oxidized adrenal ferredoxin + H2OAndrostenedione,reduced-adrenal-ferredoxin:oxygen oxidoreductase (11-hydroxylating)
R04758 11beta-Hydroxyandrost-4-ene-3,17-dione + NADP+ <=> Adrenosterone + NADPH + H+11beta-Hydroxyandrost-4-ene-3,17-dione:NADP+ 11-oxidoreductase
R08945 11beta,17beta-Dihydroxy-4-androsten-3-one + NAD+ <=> 11beta-Hydroxyandrost-4-ene-3,17-dione + NADH + H+11beta,17beta-dihydroxy-4-androsten-3-one:NAD+ 17-oxidoreductase
R08980 11beta,17beta-Dihydroxy-4-androsten-3-one + NADP+ <=> 11beta-Hydroxyandrost-4-ene-3,17-dione + NADPH + H+11beta,17beta-dihydroxy-4-androsten-3-one:NADP+ 17-oxidoreductase

Table of KEGG human pathways containing 11beta-Hydroxyandrost-4-ene-3,17-dione

Pathway IDHuman Pathway# of reactions
hsa00140 Steroid hormone biosynthesis 4
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