CHEBI:3899 - Cortolone

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ChEBI Name Cortolone ChEBI ID CHEBI:3899 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C21H34O5 C21H34O5 Net Charge 0 Average Mass 366.492 Monoisotopic Mass 366.24062 InChI InChI=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 InChIKey JXCOSKURGJMQSG-AZQJGLEESA-N SMILES C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@@H](O)CO Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing Cortolone (CHEBI:3899) is a 21-hydroxy steroid (CHEBI:35344) Synonyms Sources (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-one HMDB 20alpha-Cortolone HMDB 5a,17,20a,21-Tetrol-11-one HMDB a-Cortolone HMDB alpha-Cortolone HMDB Cortolon HMDB Cortolone KEGG COMPOUND Manual Xrefs Databases C05481 KEGG COMPOUND CORTOLONE MetaCyc HMDB0003128 HMDB View more database links Registry Number Type Source 516-42-7 CAS Registry Number KEGG COMPOUND Citations Types Sources 11085621 PubMed citation Europe PMC 16316194 PubMed citation Europe PMC 7419663 PubMed citation Europe PMC Last Modified 23 October 2015