EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:16229 - 3β-hydroxy-5β-pregnan-20-one
| Formula | C21H34O2 |
| Net Charge | 0 |
| Average Mass | 318.501 |
| Monoisotopic Mass | 318.25588 |
| SMILES | [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])C(C)=O)[C@@]1(C)CC[C@H](O)C2 |
| InChI | InChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1 |
| InChIKey | AURFZBICLPNKBZ-GRWISUQFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (1265794) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (347637) |
| 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) |
| 3β-hydroxy-5β-pregnan-20-one (CHEBI:16229) has role human metabolite (CHEBI:77746) |
| 3β-hydroxy-5β-pregnan-20-one (CHEBI:16229) has role mouse metabolite (CHEBI:75771) |
| 3β-hydroxy-5β-pregnan-20-one (CHEBI:16229) is a 3-hydroxy-5β-pregnan-20-one (CHEBI:50171) |
| 3β-hydroxy-5β-pregnan-20-one (CHEBI:16229) is a 3β-hydroxy steroid (CHEBI:36836) |
| Incoming Relation(s) |
| 5β-pregnane-3β,20α-diol (CHEBI:156526) has functional parent 3β-hydroxy-5β-pregnan-20-one (CHEBI:16229) |
| IUPAC Name |
|---|
| 3β-hydroxy-5β-pregnan-20-one |
| Synonyms | Source |
|---|---|
| 3beta-Hydroxy-5beta-pregnane-20-one | KEGG COMPOUND |
| (3β,5β)-3-hydroxypregnan-20-one | NIST Chemistry WebBook |
| 3β-hydroxy-5β-tetrahydroprogesterone | NIST Chemistry WebBook |
| epipregnanolone | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| 3β-hydroxy-5β-pregnane-20-one | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C11825 | KEGG COMPOUND |
| HMDB0001471 | HMDB |
| LMST02030185 | LIPID MAPS |
| Citations |
|---|