CHEBI:34171 - 16alpha-Bromo-17beta-estradiol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 16alpha-Bromo-17beta-estradiol
ChEBI ID CHEBI:34171
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H23BrO2
Net Charge 0
Average Mass 351.278
Monoisotopic Mass 350.088
InChI InChI=1S/C18H23BrO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
InChIKey ICCJJRSEGGYXMX-ZXXIGWHRSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](Br)[C@@H]2O
ChEBI Ontology
Outgoing 16alpha-Bromo-17beta-estradiol (CHEBI:34171) is a 3-hydroxy steroid (CHEBI:36834)
Synonyms Sources
16alpha-Bromo-1,3,5(10)-estratriene-3,17beta-diol KEGG COMPOUND
16alpha-Bromo-17beta-estradiol KEGG COMPOUND
Manual Xref Database
C14731 KEGG COMPOUND
View more database links
Registry Number Type Source
54982-79-5 CAS Registry Number KEGG COMPOUND
Last Modified
20 January 2015