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



Classification

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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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bos taurus (#9913)
Mammalia (#40674)
[Constitution of aldosterone, a new mineralocorticoid].,
Experientia, 1954
Pubmed ID: 13161890

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

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Created at
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Updated at
4th Jan 2024