Structure Database (LMSD)
Common Name
11-deoxycorticosterone
Systematic Name
21-hydroxypregn-4-ene-3,20-dione
Synonyms
- 21-hydroxyProgesterone
LM ID
LMST02030087
Formula
Exact Mass
Calculate m/z
330.219495
Sum Composition
Status
Active
3D model of 11-deoxycorticosterone
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
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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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String Representations
InChiKey (Click to copy)
ZESRJSPZRDMNHY-YFWFAHHUSA-N
InChi (Click to copy)
InChI=1S/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
SMILES (Click to copy)
[C@]12(CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(=O)CO)CC[C@@]21[H])[H]
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
340.87
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.98
Molar Refractivity
92.78
Admin
Created at
-
Updated at
19th Aug 2022