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CHEBI:16973 - 11-deoxycorticosterone

ChEBI IDCHEBI:16973
ChEBI Name11-deoxycorticosterone
Stars
DefinitionA mineralocorticoid that is progesterone substituted at position 21 by a hydroxy group.
Secondary ChEBI IDsCHEBI:713, CHEBI:11314, CHEBI:19123, CHEBI:39642, CHEBI:86536
Last Modified16 September 2021
DownloadsMolfile
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])C(=O)CO
InChIInChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
InChIKeyZESRJSPZRDMNHY-YFWFAHHUSA-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:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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)
11-deoxycorticosterone (CHEBI:16973) has functional parent progesterone (CHEBI:17026)
11-deoxycorticosterone (CHEBI:16973) has role human metabolite (CHEBI:77746)
11-deoxycorticosterone (CHEBI:16973) has role mouse metabolite (CHEBI:75771)
11-deoxycorticosterone (CHEBI:16973) is a 20-oxo steroid (CHEBI:36885)
11-deoxycorticosterone (CHEBI:16973) is a 21-hydroxy steroid (CHEBI:35344)
11-deoxycorticosterone (CHEBI:16973) is a 3-oxo-Δ4 steroid (CHEBI:47909)
11-deoxycorticosterone (CHEBI:16973) is a mineralocorticoid (CHEBI:25354)
11-deoxycorticosterone (CHEBI:16973) is a primary α-hydroxy ketone (CHEBI:139590)
Incoming Relation(s)
11-deoxycorticosterone-21-hemisuccinate (CHEBI:62112) has functional parent 11-deoxycorticosterone (CHEBI:16973)
5α-dihydrodeoxycorticosterone (CHEBI:81468) has functional parent 11-deoxycorticosterone (CHEBI:16973)
5β-dihydrodeoxycorticosterone (CHEBI:86384) has functional parent 11-deoxycorticosterone (CHEBI:16973)
IUPAC Name 
21-hydroxypregn-4-ene-3,20-dione
Synonyms  Source
11-DeoxycorticosteroneKEGG COMPOUND
DeoxycorticosteroneKEGG COMPOUND
CortexoneKEGG COMPOUND
21-Hydroxy-4-pregnene-3,20-dioneKEGG COMPOUND
DOCKEGG COMPOUND
DESOXYCORTICOSTERONEPDBeChem
UniProt Name  Source
21-hydroxyprogesteroneUniProt
Manual XrefsDatabases
C03205KEGG COMPOUND
1CAPDBeChem
LMST02030087LIPID MAPS
DesoxycorticosteroneWikipedia
11-DEOXYCORTICOSTERONEMetaCyc
D07792KEGG DRUG
820DrugCentral
Registry NumbersSources
Reaxys:2062123Reaxys
CAS:64-85-7KEGG COMPOUND
CAS:64-85-7ChemIDplus
CAS:64-85-7NIST Chemistry WebBook
Citations