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
Main
Classification
Category
Main Class
Sub Class
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]
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Bos taurus
(#9913)
Mammalia
(#40674)
[Constitution of aldosterone, a new mineralocorticoid].,
Experientia, 1954
Experientia, 1954
Pubmed ID:
13161890
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
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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Admin
Created at
-
Updated at
4th Jan 2024