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Record Information
Version1.0
Creation Date2016-09-30 22:18:48 UTC
Update Date2020-05-11 20:56:49 UTC
MCDB ID BMDB0000037
Secondary Accession Numbers
  • BMDB00037
Metabolite Identification
Common NameAldosterone
DescriptionAldosterone, also known as aldocorten or delta-aldosterone, belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. Aldosterone exists as a solid, possibly soluble (in water), and an extremely weak basic (essentially neutral) compound (based on its pKa) molecule. Aldosterone exists in all living organisms, ranging from bacteria to humans.
Structure
Thumb
Synonyms
ValueSource
(+)-AldosteroneChEBI
(11beta)-11,21-Dihydroxy-3,20-dioxopregn-4-en-18-alChEBI
11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-alChEBI
(11b)-11,21-Dihydroxy-3,20-dioxopregn-4-en-18-alGenerator
(11Β)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-alGenerator
11b,21-Dihydroxy-3,20-dioxo-4-pregnen-18-alGenerator
11Β,21-dihydroxy-3,20-dioxo-4-pregnen-18-alGenerator
Aldosterone, (+-)-isomerHMDB
Aldosterone, (11 beta,17 alpha)-isomerHMDB
11beta,21-Dihydroxy-3,20-diketo-4-pregnen-18-alHMDB
11beta,21-Dihydroxy-3,20-diketopregn-4-ene-18-alHMDB
11beta,21-Dihydroxypregn-4-ene-3,18,20-trioneHMDB
11Β,21-dihydroxy-3,20-diketo-4-pregnen-18-alHMDB
11Β,21-dihydroxy-3,20-diketopregn-4-ene-18-alHMDB
11Β,21-dihydroxypregn-4-ene-3,18,20-trioneHMDB
18-Formyl-11beta,21-dihydroxy-4-pregnene-3,20-dioneHMDB
18-Formyl-11β,21-dihydroxy-4-pregnene-3,20-dioneHMDB
18-OxocorticosteroneHMDB
AldosteroneHMDB
Chemical FormulaC21H28O5
Average Molecular Weight360.444
Monoisotopic Molecular Weight360.193674006
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number52-39-1
SMILESNot Available
InChI Identifier
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
InChI KeyPQSUYGKTWSAVDQ-ZVIOFETBSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassHydroxysteroids
Direct Parent21-hydroxysteroids
Alternative Parents
Substituents
  • Progestogin-skeleton
  • 21-hydroxysteroid
  • 20-oxosteroid
  • Pregnane-skeleton
  • 18-oxosteroid
  • 3-oxo-delta-4-steroid
  • 3-oxosteroid
  • Oxosteroid
  • 11-beta-hydroxysteroid
  • 11-hydroxysteroid
  • Delta-4-steroid
  • Cyclohexenone
  • Cyclic alcohol
  • Alpha-hydroxy ketone
  • Ketone
  • Secondary alcohol
  • Cyclic ketone
  • Alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Primary alcohol
  • Aldehyde
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point166.5 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.051 mg/mL at 37 °CNot Available
LogP1.08HANSCH,C ET AL. (1995)
Predicted PropertiesNot Available
Spectra
Spectrum TypeDescriptionSplash KeyView
Concentrations
StatusValueReferenceDetails
Detected but not QuantifiedNot Applicable details
HMDB IDHMDB0000037
DrugBank IDDB04630
Phenol Explorer Compound IDNot Available
FoodDB IDFDB021883
KNApSAcK IDNot Available
Chemspider ID5633
KEGG Compound IDC01780
BioCyc IDALDOSTERONE
BiGG IDNot Available
Wikipedia LinkAldosterone
METLIN IDNot Available
PubChem Compound5839
PDB IDNot Available
ChEBI ID27584
References
Synthesis ReferenceBear, Brian R.; Parnes, Jason S.; Shea, Kenneth J. Progress toward the Total Synthesis of (+)-Aldosterone: Synthesis of the A-D Rings. Organic Letters (2003), 5(10), 1613-1616.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. [PubMed:29565828 ]