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CHEBI:87841 - 4-pregnen-20,21-diol-3-one
| Formula | C21H32O3 |
| Net Charge | 0 |
| Average Mass | 332.484 |
| Monoisotopic Mass | 332.23514 |
| SMILES | [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])C(O)CO |
| InChI | InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-19,22,24H,3-10,12H2,1-2H3/t15-,16-,17-,18+,19?,20-,21-/m0/s1 |
| InChIKey | ZCFUAGVJMSGCHS-FYGMKCHKSA-N |
| Roles Classification |
|---|
| Biological Roles: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor An EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of of 3-oxo-5α-steroid 4-dehydrogenase (NADP+), EC 1.3.1.22, the enzyme which converts testosterone (CHEBI:17347) into the more potent androgen 5α-dihydrotestosterone. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-pregnen-20,21-diol-3-one (CHEBI:87841) has parent hydride pregnane (CHEBI:8386) |
| 4-pregnen-20,21-diol-3-one (CHEBI:87841) has role Escherichia coli metabolite (CHEBI:76971) |
| 4-pregnen-20,21-diol-3-one (CHEBI:87841) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| 4-pregnen-20,21-diol-3-one (CHEBI:87841) has role EC 1.3.1.22 [3-oxo-5α-steroid 4-dehydrogenase (NADP+)] inhibitor (CHEBI:50781) |
| 4-pregnen-20,21-diol-3-one (CHEBI:87841) is a 20-hydroxy steroid (CHEBI:36854) |
| 4-pregnen-20,21-diol-3-one (CHEBI:87841) is a 21-hydroxy steroid (CHEBI:35344) |
| 4-pregnen-20,21-diol-3-one (CHEBI:87841) is a 3-oxo-Δ4 steroid (CHEBI:47909) |
| IUPAC Name |
|---|
| 20,21-dihydroxypregn-4-en-3-one |
| UniProt Name | Source |
|---|---|
| 4-pregnen-20,21-diol-3-one | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-16843 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5582727 | Reaxys |
| Citations |
|---|