RefMet Compound Details

MW structure35447 (View MW Metabolite Database details)
RefMet name11beta-Hydroxyprogesterone
Systematic name(1S,2R,10S,11S,14S,15S,17R)-17-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-14-carboxylic acid
SMILESCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionST 21:3;O3 View other entries in RefMet with this sum composition
Exact mass332.198760 (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
FormulaC20H28O4View other entries in RefMet with this formula
InChIInChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16
+,17-,18-,19+,20-,21+/m0/s1
InChIKeyBFZHCUBIASXHPK-ATWVFEABSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSterol Lipids
Main ClassSteroids
Sub ClassC21 Steroids
Pubchem CID101788
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 11beta-Hydroxyprogesterone

Rxn IDKEGG ReactionEnzyme
R02218 Progesterone + 2 Reduced ferredoxin + Oxygen + 2 H+ <=> 11beta-Hydroxyprogesterone + 2 Oxidized ferredoxin + H2Oprogesterone,reduced ferredoxin:oxygen oxidoreductase (11-hydroxylating)
R03849 11beta-Hydroxyprogesterone + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> Corticosterone + [Oxidized NADPH---hemoprotein reductase] + H2O11beta-hydroxyprogesterone,NADPH-hemoprotein reductase:oxygen oxidoreductase (21-hydroxylating)
R04852 21-Deoxycortisol + [Oxidized NADPH---hemoprotein reductase] + H2O <=> 11beta-Hydroxyprogesterone + [Reduced NADPH---hemoprotein reductase] + Oxygen11beta-hydroxyprogesterone,NADPH-hemoprotein reductase:oxygen oxidoreductase (17alpha-hydroxylating)

Table of KEGG human pathways containing 11beta-Hydroxyprogesterone

Pathway IDHuman Pathway# of reactions
hsa00140 Steroid hormone biosynthesis 3
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