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CHEBI:173219 - 3b,15b,17a-Trihydroxy-pregnenone

ChEBI IDCHEBI:173219
ChEBI Name3b,15b,17a-Trihydroxy-pregnenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])([C@H](O)C[C@]3(O)C(C)=O)[C@]1([H])CC=C1C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C21H32O4/c1-12(22)21(25)11-17(24)18-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(18,21)3/h4,14-18,23-25H,5-11H2,1-3H3/t14-,15+,16-,17+,18+,19-,20-,21-/m0/s1
InChIKeyVWUZUCWRCBMJNW-YZUCACDQSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
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)
3b,15b,17a-Trihydroxy-pregnenone (CHEBI:173219) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
1-[(3S,8R,9S,10R,13S,14S,15R,17R)-3,15,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Manual XrefsDatabases
LMST02030140LIPID MAPS
117725ChemSpider
Registry NumbersSources
CAS:80380-40-1ChemIDplus