Structure Database (LMSD)
Common Name
5beta-dihydrodeoxycorticosterone
Systematic Name
5β-pregnan-21-ol-3,20-dione
Synonyms
- 21-Hydroxy-5beta-pregnan-3,20-dione
- hydroxydione
LM ID
LMST02030282
Formula
Exact Mass
Calculate m/z
332.235145
Sum Composition
Status
Active
3D model of 5beta-dihydrodeoxycorticosterone
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)
USPYDUPOCUYHQL-VEVMSBRDSA-N
InChi (Click to copy)
InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15+,16+,17+,18-,20+,21+/m1/s1
SMILES (Click to copy)
[C@]12(CC[C@]3([H])CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(=O)CO)CC[C@@]21[H])[H]
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Human steroid biosynthesis, metabolism and excretion are differentially reflected by serum and urine steroid metabolomes: A comprehensive review.,
J Steroid Biochem Mol Biol, 2019
J Steroid Biochem Mol Biol, 2019
Pubmed ID:
31362062
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
4
Aromatic Rings
Rotatable Bonds
2
Van der Waals Molecular Volume
343.51
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.06
Molar Refractivity
92.81
Reactions
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Admin
Created at
19th Aug 2022
Updated at
19th Aug 2022