Structure Database (LMSD)

Common Name
2beta-hydroxy-testosterone
Systematic Name
3β,17β-dihydroxyandrost-4-en-3-one
Synonyms
  • 3-keto-androst-4ene-2beta 17beta-diol
LM ID
LMST02020144
Formula
C19H28O3
Exact Mass
Calculate m/z
304.203845
Sum Composition
ST 19:2;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Canis lupus familiaris (#9615)
Mammalia (#40674)
The metabolism of testosterone in the isolated perfused dog liver.,
J Biol Chem, 1956
Pubmed ID: 13295299

String Representations

InChiKey (Click to copy)
ZOIPFFUVGMVQGE-LXKHFVGGSA-N
InChi (Click to copy)
InChI=1S/C19H28O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18-,19-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC(=O)[C@H]1O

Other Databases

CHEBI ID
137077
PubChem CID
14311667
SwissLipids ID
SLM:000597846

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings
Rotatable Bonds
Van der Waals Molecular Volume 308.91
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.42
Molar Refractivity 85.13

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Created at
13th Nov 2023
Updated at
13th Nov 2023