CHEBI:16784 - 6β-hydroxy-17β-estradiol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6β-hydroxy-17β-estradiol
ChEBI ID CHEBI:16784
ChEBI ASCII Name 6beta-hydroxy-17beta-estradiol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12238, CHEBI:2242, CHEBI:20762
Supplier Information
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Formula C18H24O3
Net Charge 0
Average Mass 288.38136
Monoisotopic Mass 288.17254
InChI InChI=1S/C18H24O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,19-21H,4-7,9H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1
InChIKey QZZRQURPSRWTLG-UXCAXZQLSA-N
SMILES [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])C[C@@H](O)c1cc(O)ccc21
ChEBI Ontology
Outgoing 6β-hydroxy-17β-estradiol (CHEBI:16784) has functional parent 17β-estradiol (CHEBI:16469)
6β-hydroxy-17β-estradiol (CHEBI:16784) is a 6β-hydroxy steroid (CHEBI:36851)
IUPAC Name
estra-1,3,5(10)-triene-3,6β,17β-triol
Synonyms Sources
6beta-hydroxyestradiol-17beta ChEBI
6beta-Hydroxyestradiol-17beta KEGG COMPOUND
6β-hydroxyestradiol-17β UniProt
Manual Xrefs Databases
C03935 KEGG COMPOUND
LMST02010031 LIPID MAPS
View more database links
Last Modified
13 November 2017