Structure Database (LMSD)
Common Name
19-hydroxy-testosterone
Systematic Name
17β,19-dihydroxyandrost-4-en-3-one
Synonyms
LM ID
LMST02020070
Formula
Exact Mass
Calculate m/z
304.203845
Sum Composition
Status
Active
3D model of 19-hydroxy-testosterone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Reactions
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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.
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References
String Representations
InChiKey (Click to copy)
YLTCTXBDDHSLCS-KOUJMVCDSA-N
InChi (Click to copy)
InChI=1S/C19H28O3/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/h10,14-17,20,22H,2-9,11H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1
SMILES (Click to copy)
[C@]12(CO)CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](O)[C@]3(CC[C@]21[H])C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
4
Aromatic Rings
0
Rotatable Bonds
1
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
Admin
Created at
-
Updated at
29th Nov 2023