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Record Information
Version1.0
Creation Date2016-09-30 22:18:48 UTC
Update Date2020-05-11 20:56:49 UTC
BMDB IDBMDB0000037
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
Ontology
StatusDetected but not Quantified
Origin
  • Endogenous
  • Exogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cell membrane
  • Cytoplasm
  • Membrane
  • Mitochondria
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point166.5 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.0512 mg/mL at 37 °CNot Available
LogP1.08HANSCH,C ET AL. (1995)
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Biological Properties
Cellular Locations
  • Cell membrane
  • Cytoplasm
  • Membrane
  • Mitochondria
Biospecimen Locations
  • Adipose Tissue
  • Adrenal Cortex
  • Adrenal Gland
  • Adrenal Medulla
  • Fibroblasts
  • Intestine
  • Kidney
  • Lung
  • Milk
  • Neuron
  • Pancreas
  • Placenta
  • Platelet
  • Skeletal Muscle
  • Testis
  • Thyroid Gland
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Adipose TissueExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Adrenal CortexExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Adrenal GlandExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Adrenal MedullaExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
FibroblastsExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
IntestineExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
KidneyExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
LungExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
MilkDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
NeuronExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
PancreasExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
PlacentaExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
PlateletExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Skeletal MuscleExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
TestisExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Thyroid GlandExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Abnormal Concentrations
Not Available
HMDB IDHMDB0000037
DrugBank IDDB04630
Phenol Explorer Compound IDNot Available
FooDB 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)Not Available
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 ]

Enzymes

General function:
Involved in prostaglandin E receptor activity
Specific function:
Receptor for prostaglandin E2 (PGE2). The activity of this receptor is mediated by G(s) proteins that stimulate adenylate cyclase. Has a relaxing effect on smooth muscle. May play an important role in regulating renal hemodynamics, intestinal epithelial transport, adrenal aldosterone secretion, and uterine function (By similarity).
Gene Name:
PTGER4
Uniprot ID:
Q8MJ08
Molecular weight:
53298.0
General function:
Involved in hormone activity
Specific function:
Cardiac hormone which may function as a paracrine antifibrotic factor in the heart. Also plays a key role in cardiovascular homeostasis through natriuresis, diuresis, vasorelaxation, and inhibition of renin and aldosterone secretion. Specifically binds and stimulates the cGMP production of the NPR1 receptor. Binds the clearance receptor NPR3 (By similarity).
Gene Name:
NPPB
Uniprot ID:
P13204
Molecular weight:
14113.0