Structure Database (LMSD)
Common Name
Aldosterone
Systematic Name
11β,21-dihydroxy-3,20-dioxo-pregn-4-ene-18-al
Synonyms
- 11beta,21-dihydroxy-3,20-diketo-4-pregnen-18-al
LM ID
LMST02030026
Formula
Exact Mass
Calculate m/z
360.193675
Sum Composition
Status
Active
3D model of Aldosterone
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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References
String Representations
InChiKey (Click to copy)
PQSUYGKTWSAVDQ-ZVIOFETBSA-N
InChi (Click to copy)
InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
SMILES (Click to copy)
[C@]12(CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C=O)[C@@H](C(=O)CO)CC[C@@]21[H])[H]
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
SST0129
PubChem CID
SwissLipids ID
Cayman ID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
4
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
355.81
Topological Polar Surface Area
91.67
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
2.42
Molar Refractivity
95.07
Admin
Created at
-
Updated at
4th Jan 2024