RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0018332
RefMet name5alpha-Androstane-3beta,17beta-diol
Systematic name5alpha-androstane-3beta,17beta-diol
SynonymsPubChem Synonyms
Sum CompositionST 19:0;O2 View other entries in RefMet with this sum composition
Exact mass292.240230 (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
FormulaC19H32O2View other entries in RefMet with this formula
Molecular descriptors
Molfile35336 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,1
6-,17-,18-,19-/m0/s1
InChIKeyCBMYJHIOYJEBSB-YSZCXEEOSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC[C@]12CC[C@@H](C[C@@H]1CC[C@H]1[C@@H]3CC[C@@H]([C@@]3(C)CC[C@H]21)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassSterol Lipids
Main ClassSteroids
Sub ClassC19 Steroids
Distribution of 5alpha-Androstane-3beta,17beta-diol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 5alpha-Androstane-3beta,17beta-diol
External Links
Pubchem CID242332
LIPID MAPSLMST02020053
ChEBI ID18329
KEGG IDC12525
HMDB IDHMDB0000493
Chemspider ID211834
MetaCyc IDALPHA-ANDROSTAN-3BETA17BETA-DIOL
Spectral data for 5alpha-Androstane-3beta,17beta-diol standards
NP-MRD ID(NMR)View NMR spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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