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
Main
Classification
Category
Main Class
Sub Class
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]
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
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
Reactions
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Admin
Created at
25th Aug 2022
Updated at
25th Aug 2022