EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:81469 - 5alpha-Pregnan-20alpha-ol-3-one

Default Structure
ChEBI IDCHEBI:81469
ChEBI Name5alpha-Pregnan-20alpha-ol-3-one
Stars
Last Modified6 March 2025
DownloadsMolfile
FormulaC21H34O2
Net Charge0
Average Mass318.501
Monoisotopic Mass318.25588
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)O)[C@@]1(C)CCC(=O)C2
InChIInChI=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/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKeyDYVGYXXLXQESJE-SKLBOBKVSA-N
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
5alpha-Pregnan-20alpha-ol-3-one (CHEBI:81469) is a 3-oxo-5α-steroid (CHEBI:13601)
5alpha-Pregnan-20alpha-ol-3-one (CHEBI:81469) is a corticosteroid hormone (CHEBI:36699)
Synonym  Source
Allopregnan-20alpha-ol-3-oneKEGG COMPOUND
UniProt Name  Source
20α-hydroxy-5α-pregnane-3-oneUniProt
Manual XrefsDatabases
C18041KEGG COMPOUND
HMDB0060408HMDB
Registry NumbersSources
CAS:516-59-6KEGG COMPOUND