CHEBI:28952 - 5α-pregnane-3,20-dione

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ChEBI Name 5α-pregnane-3,20-dione
ChEBI ID CHEBI:28952
ChEBI ASCII Name 5alpha-pregnane-3,20-dione
Definition A C21-steroid hormone that is 5α-pregnane substituted by oxo groups at positions 3 and 20. It is a metabolite of progestrone.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12175, CHEBI:2144, CHEBI:20657
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Formula C21H32O2
Net Charge 0
Average Mass 316.47760
Monoisotopic Mass 316.240
InChI InChI=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
InChIKey XMRPGKVKISIQBV-BJMCWZGWSA-N
SMILES [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2
Metabolite of Species Details
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
progestogen
A compound that interacts with progesterone receptors in target tissues to bring about effects similar to those of progesterone.
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.
(via steroid hormone )
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ChEBI Ontology
Outgoing 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 Sources
3,20-allopregnanedione ChemIDplus
3,20-dioxo-5α-pregnane ChemIDplus
5-α-dihydroprogesterone ChemIDplus
5α-dihydroprogesterone ChemIDplus
5alpha-Dihydroprogesterone KEGG COMPOUND
5alpha-Pregnane-3,20-dione KEGG COMPOUND
5α-pregnane-3,20-dione UniProt
Database Links Databases
5%CE%B1-Dihydroprogesterone Wikipedia
C03681 KEGG COMPOUND
HMDB03759 HMDB
LMST02030170 LIPID MAPS
View more database links
Registry Numbers Types Sources
2058506 Reaxys Registry Number Reaxys
566-65-4 CAS Registry Number KEGG COMPOUND
566-65-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15319353 PubMed citation Europe PMC
17683929 PubMed citation Europe PMC
19931389 PubMed citation Europe PMC
Last Modified
28 March 2017