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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H32O2 Net Charge 0 Average Mass 316.47760 Monoisotopic Mass 316.24023 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:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Homo sapiens (NCBI:txid9606) 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-5β-steroid (CHEBI:1624) 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 5β-pregnan-3,20-dione UniProt 5beta-Pregnane-3,20-dione KEGG COMPOUND Manual Xrefs 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 Types Sources 11292466 PubMed citation Europe PMC 12798477 PubMed citation Europe PMC Last Modified 18 October 2017