RefMet Compound Details

MW structure34393 (View MW Metabolite Database details)
RefMet name22R-Hydroxycholesterol
Systematic namecholest-5-en-3beta,22R-diol
SMILESCC(C)CC[C@H]([C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionST 27:1;O2 View other entries in RefMet with this sum composition
Exact mass402.349780 (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
FormulaC27H46O2View other entries in RefMet with this formula
InChIInChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H
,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1
InChIKeyRZPAXNJLEKLXNO-GFKLAVDKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSterol Lipids
Main ClassSterols
Sub ClassOxysterols
Pubchem CID167685
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 22R-Hydroxycholesterol

Rxn IDKEGG ReactionEnzyme
R02723 Cholesterol + Oxygen + 2 Reduced adrenal ferredoxin + 2 H+ <=> 22(R)-Hydroxycholesterol + H2O + 2 Oxidized adrenal ferredoxinCholesterol + Oxygen + 2 Reduced adrenal ferredoxin + 2 H+ <=> 22(R)-Hydroxycholesterol + H2O + 2 Oxidized adrenal ferredoxin
R04855 22(R)-Hydroxycholesterol + Oxygen + 2 Reduced adrenal ferredoxin + 2 H+ <=> 20alpha,22beta-Dihydroxycholesterol + H2O + 2 Oxidized adrenal ferredoxin22beta-Hydroxycholesterol:oxygen oxidoreductase (side-chain-cleaving)

Table of KEGG human pathways containing 22R-Hydroxycholesterol

Pathway IDHuman Pathway# of reactions
hsa00140 Steroid hormone biosynthesis 2
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