Structure Database (LMSD)

Common Name
5beta-Dihydrotestosterone
Systematic Name
17β-hydroxy-5β-androstan-3-one
Synonyms
LM ID
LMST02020069
Status
Active
Exact Mass
Calculate m/z
290.22458
Formula
C19H30O2
Abbrev
ST 19:1;O2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C19 steroids (androgens) and derivatives [ST0202]

String Representations

InChiKey (Click to copy)
NVKAWKQGWWIWPM-MISPCMORSA-N
InChi (Click to copy)
InChI=1S/C19H30O2/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/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@]3([H])CC(CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])O)=O

References

Other Databases

KEGG ID
C05293
HMDB ID
HMDB0006770
CHEBI ID
2150
PubChem CID
11302
SwissLipids ID
SLM:000485676

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 302.76
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.25
Molar Refractivity 83.25

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Created at
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Updated at
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