EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:16784
ChEBI Name6β-hydroxy-17β-estradiol
Stars
ASCII Name6beta-hydroxy-17beta-estradiol
Secondary ChEBI IDsCHEBI:2242, CHEBI:12238, CHEBI:20762
Last Modified13 November 2017
DownloadsMolfile
FormulaC18H24O3
Net Charge0
Average Mass288.387
Monoisotopic Mass288.17254
SMILES[H][C@@]12C[C@@H](O)c3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=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
InChIKeyQZZRQURPSRWTLG-UXCAXZQLSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
6beta-Hydroxyestradiol-17betaKEGG COMPOUND
6beta-hydroxyestradiol-17betaChEBI
UniProt Name  Source
6β-hydroxyestradiol-17βUniProt
Manual XrefsDatabases
C03935KEGG COMPOUND
C03935KEGG COMPOUND
LMST02010031LIPID MAPS