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CHEBI:30154 - 5β-pregnane-3,20-dione
| Formula | C21H32O2 |
| Net Charge | 0 |
| Average Mass | 316.485 |
| Monoisotopic Mass | 316.24023 |
| 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 |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1046/j.1471-0528.2003.02041.x) | |
| 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). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| 5beta-Pregnane-3,20-dione | KEGG COMPOUND |
| 5β-dihydroprogesterone | ChemIDplus |
| 3,20-pregnanedione | ChemIDplus |
| (5BETA)-PREGNANE-3,20-DIONE | PDBeChem |
| UniProt Name | Source |
|---|---|
| 5β-pregnan-3,20-dione | UniProt |
| Citations |
|---|