CHEBI:62848 - 11β-hydroxy-17β-estradiol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 11β-hydroxy-17β-estradiol
ChEBI ID CHEBI:62848
ChEBI ASCII Name 11beta-hydroxy-17beta-estradiol
Definition A 4-hydroxy steroid that consists of 17β-estradiol bearing an additional 11β-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H24O3
Net Charge 0
Average Mass 288.38140
Monoisotopic Mass 288.17254
InChI InChI=1S/C18H24O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15-,16-,17+,18-/m0/s1
InChIKey IGPOPFXCSGWCLM-FRMKIJSPSA-N
SMILES [H][C@@]12CCc3cc(O)ccc3[C@@]1([H])[C@@H](O)C[C@]1(C)[C@@H](O)CC[C@@]21[H]
ChEBI Ontology
Outgoing 11β-hydroxy-17β-estradiol (CHEBI:62848) has functional parent 17β-estradiol (CHEBI:16469)
11β-hydroxy-17β-estradiol (CHEBI:62848) is a 11β-hydroxy steroid (CHEBI:35346)
IUPAC Name
estra-1,3,5(10)-triene-3,11β,17β-triol
Synonyms Sources
11β-hydroxyestradiol ChEBI
oestra-1,3,5(10)-triene-3,11β,17β-triol ChEBI
Registry Numbers Types Sources
3210438 Reaxys Registry Number Reaxys
5444-22-4 CAS Registry Number Reaxys
Citations Waiting for Citations Types Sources
11812141 PubMed citation Europe PMC
9357533 PubMed citation Europe PMC
Last Modified
02 September 2011