RefMet Compound Details

MW structure35481 (View MW Metabolite Database details)
RefMet nameDihydrocortisol
SMILESC[C@]12CCC(=O)C[C@H]1CC[C@H]1[C@@H]3CC[C@](C(=O)CO)([C@@]3(C)C[C@@H]([C@H]21)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionST 21:2;O5 View other entries in RefMet with this sum composition
Exact mass364.224975 (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
FormulaC21H32O5View other entries in RefMet with this formula
InChIInChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-16,18,22,24,26H,3-11H2,
1-2H3/t12-,14+,15+,16+,18-,19+,20+,21+/m1/s1
InChIKeyACSFOIGNUQUIGE-AIPUTVCKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSterol Lipids
Main ClassSteroids
Sub ClassC21 Steroids
Pubchem CID164838
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Dihydrocortisol

Rxn IDKEGG ReactionEnzyme
R02841 11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione + NADP+ <=> Cortisol + NADPH + H+11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione:NADP+ delta4-oxidoreductase
R04832 Urocortisol + NAD+ <=> 11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione + NADH + H+Urocortisol:NAD+ oxidoreductase (B-specific)
R04833 Urocortisol + NADP+ <=> 11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione + NADPH + H+Urocortisol:NADP+ oxidoreductase (B-specific)

Table of KEGG human pathways containing Dihydrocortisol

Pathway IDHuman Pathway# of reactions
hsa00140 Steroid hormone biosynthesis 3
  logo