Structure Database (LMSD)

O H H H OH O
Common Name
19-oxo-testosterone
Systematic Name
17β-hydroxyandrost-4-en-3,19-dione
Synonyms
LM ID
LMST02020145
Formula
C19H26O3
Exact Mass
Calculate m/z
302.188195
Sum Composition
ST 19:3;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
TXNCGXATKOMEQC-KOUJMVCDSA-N
InChi (Click to copy)
InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11,14-17,22H,2-9H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1
SMILES (Click to copy)
[C@@]12(C=O)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC1=CC(=O)CC2

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
19-Hydroxylation of androgens in the rat brain.,
Proc Natl Acad Sci U S A, 1985
Pubmed ID: 3857612

Other Databases

KEGG ID
C05295
CHEBI ID
75308
PubChem CID
12850019

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings
Rotatable Bonds 1
Van der Waals Molecular Volume 306.27
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.34
Molar Refractivity 83.62

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
29th Nov 2023
Updated at
29th Nov 2023