CHEBI:34165 - 16-Ketoestradiol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 16-Ketoestradiol
ChEBI ID CHEBI:34165
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H22O3
Net Charge 0
Average Mass 286.366
Monoisotopic Mass 286.15689
InChI InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,17,19,21H,2,4,6-7,9H2,1H3/t13-,14-,15+,17+,18+/m1/s1
InChIKey KJDGFQJCHFJTRH-YONAWACDSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC(=O)[C@@H]2O
ChEBI Ontology
Outgoing 16-Ketoestradiol (CHEBI:34165) is a 16-oxo steroid (CHEBI:47786)
Synonyms Sources
16-Ketoestradiol KEGG COMPOUND
16-Oxo-17beta-estradiol KEGG COMPOUND
Manual Xrefs Databases
C14383 KEGG COMPOUND
HMDB0000406 HMDB
View more database links
Registry Number Type Source
566-75-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014