CHEBI:30154 - 5β-pregnane-3,20-dione

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ChEBI Name 5β-pregnane-3,20-dione
ChEBI ID CHEBI:30154
ChEBI ASCII Name 5beta-pregnane-3,20-dione
Definition A C21-steroid that is 5β-pregnane with oxo groups at positions 3 and 20.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41572, CHEBI:2151, CHEBI:12180
Supplier Information
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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-/m1/s1
InChIKey XMRPGKVKISIQBV-XWOJZHJZSA-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
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
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).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5β-pregnane-3,20-dione (CHEBI:30154) has parent hydride 5β-pregnane (CHEBI:20674)
5β-pregnane-3,20-dione (CHEBI:30154) has role human metabolite (CHEBI:77746)
5β-pregnane-3,20-dione (CHEBI:30154) has role mouse metabolite (CHEBI:75771)
5β-pregnane-3,20-dione (CHEBI:30154) is a 20-oxo steroid (CHEBI:36885)
5β-pregnane-3,20-dione (CHEBI:30154) is a 3-oxo steroid (CHEBI:47788)
5β-pregnane-3,20-dione (CHEBI:30154) is a C21-steroid (CHEBI:61313)
IUPAC Name
5β-pregnane-3,20-dione
Synonyms Sources
(5BETA)-PREGNANE-3,20-DIONE PDBeChem
3,20-pregnanedione ChemIDplus
5β-dihydroprogesterone ChemIDplus
5beta-Pregnane-3,20-dione KEGG COMPOUND
Database Links Databases
C05479 KEGG COMPOUND
CI2 PDBeChem
DB07557 DrugBank
View more database links
Registry Numbers Types Sources
128-23-4 CAS Registry Number KEGG COMPOUND
128-23-4 CAS Registry Number ChemIDplus
2058507 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11292466 PubMed citation Europe PMC
12798477 PubMed citation Europe PMC
Last Modified
27 January 2016