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CHEBI:28952 - 5α-pregnane-3,20-dione

ChEBI IDCHEBI:28952
ChEBI Name5α-pregnane-3,20-dione
Stars
ASCII Name5alpha-pregnane-3,20-dione
DefinitionA C21-steroid hormone that is 5α-pregnane substituted by oxo groups at positions 3 and 20. It is a metabolite of progestrone.
Secondary ChEBI IDsCHEBI:2144, CHEBI:12175, CHEBI:20657
Last Modified28 March 2017
DownloadsMolfile
FormulaC21H32O2
Net Charge0
Average Mass316.485
Monoisotopic Mass316.24023
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](C(C)=O)CC[C@@]34[H])[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKeyXMRPGKVKISIQBV-BJMCWZGWSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Roles:
progestogen  A compound that interacts with progesterone receptors in target tissues to bring about effects similar to those of progesterone.
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)
5α-pregnane-3,20-dione (CHEBI:28952) has functional parent progesterone (CHEBI:17026)
5α-pregnane-3,20-dione (CHEBI:28952) has parent hydride 5α-pregnane (CHEBI:20656)
5α-pregnane-3,20-dione (CHEBI:28952) has role human metabolite (CHEBI:77746)
5α-pregnane-3,20-dione (CHEBI:28952) has role progestogen (CHEBI:50745)
5α-pregnane-3,20-dione (CHEBI:28952) is a 20-oxo steroid (CHEBI:36885)
5α-pregnane-3,20-dione (CHEBI:28952) is a 3-oxo-5α-steroid (CHEBI:13601)
5α-pregnane-3,20-dione (CHEBI:28952) is a C21-steroid hormone (CHEBI:64600)
IUPAC Name 
5α-pregnane-3,20-dione
Synonyms  Source
5alpha-Pregnane-3,20-dioneKEGG COMPOUND
3,20-allopregnanedioneChemIDplus
3,20-dioxo-5α-pregnaneChemIDplus
5-α-dihydroprogesteroneChemIDplus
5α-dihydroprogesteroneChemIDplus
5alpha-DihydroprogesteroneKEGG COMPOUND
UniProt Name  Source
5α-pregnane-3,20-dioneUniProt
Manual XrefsDatabases
C03681KEGG COMPOUND
LMST02030170LIPID MAPS
HMDB0003759HMDB
5%CE%B1-DihydroprogesteroneWikipedia
Registry NumbersSources
Reaxys:2058506Reaxys
CAS:566-65-4KEGG COMPOUND
CAS:566-65-4ChemIDplus
Citations