RefMet Compound Details

RefMet IDRM0171400
MW structure35291 (View MW Metabolite Database details)
RefMet name2-Hydroxyestrone
Systematic name2,3-dihydroxy-estra-1,3,5(10)-trien-17-one
SMILESC[C@]12CC[C@H]3[C@@H](CCc4cc(c(cc34)O)O)[C@@H]1CCC2=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionST 18:4;O3 View other entries in RefMet with this sum composition
Exact mass286.156895 (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
FormulaC18H22O3View other entries in RefMet with this formula
InChIInChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,1
8-/m0/s1
InChIKeySWINWPBPEKHUOD-JPVZDGGYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSterol Lipids
Main ClassSteroids
Sub ClassC18 Steroids
Pubchem CID440623
ChEBI ID1156
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 2-Hydroxyestrone

Rxn IDKEGG ReactionEnzyme
R02354 Estrone + H+ + Oxygen + NADH <=> 2-Hydroxyestrone + NAD+ + H2OEstrone + H+ + Oxygen + NADH <=> 2-Hydroxyestrone + NAD+ + H2O
R02355 Estrone + H+ + Oxygen + NADPH <=> 2-Hydroxyestrone + NADP+ + H2OEstrone + H+ + Oxygen + NADPH <=> 2-Hydroxyestrone + NADP+ + H2O
R04762 2-Hydroxyestrone + S-Adenosyl-L-methionine <=> 2-Methoxyestrone + S-Adenosyl-L-homocysteineS-adenosyl-L-methionine:2-Hydroxyestrone O-methyltransferase

Table of KEGG human pathways containing 2-Hydroxyestrone

Pathway IDHuman Pathway# of reactions
hsa00140 Steroid hormone biosynthesis 3
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