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CHEBI:3899 - Cortolone

ChEBI IDCHEBI:3899
ChEBI NameCortolone
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC21H34O5
Net Charge0
Average Mass366.498
Monoisotopic Mass366.24062
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@](O)([C@@H](O)CO)[C@@]4(C)CC(=O)[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12-,13-,14+,15+,17+,18-,19+,20+,21+/m1/s1
InChIKeyJXCOSKURGJMQSG-AZQJGLEESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (11085621)
ChEBI Ontology
Outgoing Relation(s)
Cortolone (CHEBI:3899) is a 21-hydroxy steroid (CHEBI:35344)
Synonyms  Source
CortoloneKEGG COMPOUND
alpha-CortoloneHMDB
(1S,2S,5R,7R,10S,11S,14R,15S)-14-[(1S)-1,2-dihydroxyethyl]-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-17-oneHMDB
5a,17,20a,21-Tetrol-11-oneHMDB
20alpha-CortoloneHMDB
a-CortoloneHMDB
Manual XrefsDatabases
C05481KEGG COMPOUND
CORTOLONEMetaCyc
HMDB0003128HMDB
Registry NumbersSources
CAS:516-42-7KEGG COMPOUND
Citations