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CHEBI:79870 - 5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one

ChEBI IDCHEBI:79870
ChEBI Name5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one
Stars
DownloadsMolfile
FormulaC21H34O4
Net Charge0
Average Mass350.499
Monoisotopic Mass350.24571
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@](O)([C@H](C)O)[C@@]4(C)CC(=O)[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-16,18,22-23,25H,4-11H2,1-3H3/t12-,13+,14+,15-,16-,18+,19-,20-,21-/m0/s1
InChIKeyWKFXHNDWEHDGQD-ZQRGSSBZSA-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)
5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one (CHEBI:79870) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
(3alpha,5beta,20S)-3,17,20-Trihydroxypregnan-11-oneKEGG COMPOUND
PregnanetrioloneKEGG COMPOUND
Manual XrefsDatabases
C15368KEGG COMPOUND
HMDB0041997HMDB
Registry NumbersSources
CAS:603-99-6KEGG COMPOUND