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CHEBI:27584 - aldosterone

ChEBI IDCHEBI:27584
ChEBI Namealdosterone
Stars
DefinitionA pregnane-based steroidal hormone produced by the outer-section (zona glomerulosa) of the adrenal cortex in the adrenal gland, and acts on the distal tubules and collecting ducts of the kidney to cause the conservation of sodium, secretion of potassium, increased water retention, and increased blood pressure. The overall effect of aldosterone is to increase reabsorption of ions and water in the kidney.
Secondary ChEBI IDsCHEBI:2563, CHEBI:22306, CHEBI:40919
Last Modified6 February 2018
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILES[H][C@@]12CC[C@]([H])(C(=O)CO)[C@@]1(C=O)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=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
InChIKeyPQSUYGKTWSAVDQ-ZVIOFETBSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
aldosterone (CHEBI:27584) has parent hydride pregnane (CHEBI:8386)
aldosterone (CHEBI:27584) has role human metabolite (CHEBI:77746)
aldosterone (CHEBI:27584) has role mouse metabolite (CHEBI:75771)
aldosterone (CHEBI:27584) is a 11β-hydroxy steroid (CHEBI:35346)
aldosterone (CHEBI:27584) is a 18-oxo steroid (CHEBI:36887)
aldosterone (CHEBI:27584) is a 20-oxo steroid (CHEBI:36885)
aldosterone (CHEBI:27584) is a 21-hydroxy steroid (CHEBI:35344)
aldosterone (CHEBI:27584) is a 3-oxo-Δ4 steroid (CHEBI:47909)
aldosterone (CHEBI:27584) is a C21-steroid hormone (CHEBI:64600)
aldosterone (CHEBI:27584) is a mineralocorticoid (CHEBI:25354)
aldosterone (CHEBI:27584) is a primary α-hydroxy ketone (CHEBI:139590)
aldosterone (CHEBI:27584) is a steroid aldehyde (CHEBI:131565)
Incoming Relation(s)
5α-dihydroaldosterone (CHEBI:180475) has functional parent aldosterone (CHEBI:27584)
5β-dihydroaldosterone (CHEBI:86389) has functional parent aldosterone (CHEBI:27584)
aldosterone hemiacetal (CHEBI:30834) has functional parent aldosterone (CHEBI:27584)
IUPAC Name 
11β,21-dihydroxy-3,20-dioxopregn-4-en-18-al
Synonyms  Source
AldosteroneKEGG COMPOUND
11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-alKEGG COMPOUND
(+)-aldosteroneNIST Chemistry WebBook
(11β)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-alNIST Chemistry WebBook
ALDOSTERONEPDBeChem
UniProt Name  Source
aldosteroneUniProt
Manual XrefsDatabases
C01780KEGG COMPOUND
AS4PDBeChem
LMST02030026LIPID MAPS
AldosteroneWikipedia
DB04630DrugBank
HMDB0000037HMDB
LSM-42770LINCS
111DrugCentral
Registry NumbersSources
Reaxys:3224996Reaxys
CAS:52-39-1KEGG COMPOUND
CAS:52-39-1ChemIDplus
CAS:52-39-1NIST Chemistry WebBook
Citations