Structure Database (LMSD)
Common Name
Etiocholanolone
Systematic Name
3α-hydroxy-5β-androstan-17-one
Synonyms
- 5beta-androsterone
LM ID
LMST02020059
Formula
Exact Mass
Calculate m/z
290.22458
Sum Composition
Status
Active
3D model of Etiocholanolone
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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
STUDIES ON TESTOSTERONE METABOLISM. I. CONVERSION OF TESTOSTERONE-17-ALPHA-3H TO 5-ALPHA- AND 5-BETA-ANDROSTANE-3-ALPHA, 17-BETA-DEOL-17-ALPHA-3H: A NEW "17-BETA-HYDROXYL PATHWAY".,
J Biol Chem, 1964
J Biol Chem, 1964
Pubmed ID:
14189896
String Representations
InChiKey (Click to copy)
QGXBDMJGAMFCBF-BNSUEQOYSA-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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@]3([H])C[C@@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21[H])=O)O
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID
PDB ID
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
Admin
Created at
-
Updated at
8th Mar 2023