Structure Database (LMSD)
Common Name
21-Deoxycortisone
Systematic Name
4-Pregnen-17α-ol-3,11,20-trione
Synonyms
LM ID
LMST02030289
Formula
Exact Mass
Calculate m/z
344.19876
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 21-Deoxycortisone
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
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).
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Adrenal C11-oxy C21 steroids contribute to the C11-oxy C19 steroid pool via the backdoor pathway in the biosynthesis and metabolism of 21-deoxycortisol and 21-deoxycortisone.,
J Steroid Biochem Mol Biol, 2017
J Steroid Biochem Mol Biol, 2017
Pubmed ID:
28774496
String Representations
InChiKey (Click to copy)
PUKLDDOGISCFCP-JSQCKWNTSA-N
InChi (Click to copy)
InChI=1S/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-16,18,25H,4-9,11H2,1-3H3/t15-,16-,18+,19-,20-,21-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])C(=O)C[C@]1(C)[C@@](O)(C(=O)C)CC[C@@]21[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
4
Aromatic Rings
Rotatable Bonds
1
Van der Waals Molecular Volume
347.02
Topological Polar Surface Area
71.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
3.30
Molar Refractivity
93.24
Admin
Created at
25th Aug 2022
Updated at
25th Aug 2022