Structure Database (LMSD)

Common Name
21-Deoxycortisone
Systematic Name
4-Pregnen-17α-ol-3,11,20-trione
Synonyms
LM ID
LMST02030289
Formula
C21H28O4
Exact Mass
Calculate m/z
344.19876
Sum Composition
ST 21:4;O4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

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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Reactions graph legend

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
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

Wikipedia
21-Deoxycortisone
KEGG ID
C14478
CHEBI ID
34308
PubChem CID
102178
GuidePharm ID
3450

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