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
Curated
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
Biological Context
Aldosterone is a steroid hormone secreted by the adrenal cortex and is the principle mineralocorticoid controlling sodium and potassium balance.1,2 Its primary role is to promote unidirectional salt reabsorption in epithelial tissues. Aldosterone is synthesized from cholesterol in the zona glomerulosa of the adrenal cortex and its secretion is regulated via the renin-angiotensin system.3
This information has been provided by Cayman Chemical
References
3. Lumbers, E.R. Angiotensin and aldosterone. Regul. Pept. 80, 91-100 (1999).
Reactions
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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