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CHEBI:62847 - 6α-hydroxy-17β-estradiol

ChEBI IDCHEBI:62847
ChEBI Name6α-hydroxy-17β-estradiol
Stars
ASCII Name6alpha-hydroxy-17beta-estradiol
DefinitionA 4-hydroxy steroid that consists of 17β-estradiol bearing an additional 6α-hydroxy substituent.
Last Modified29 September 2016
SubmitterSteve
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-WOVZSMEKSA-N
ChEBI Ontology
Outgoing Relation(s)
6α-hydroxy-17β-estradiol (CHEBI:62847) has functional parent 17β-estradiol (CHEBI:16469)
6α-hydroxy-17β-estradiol (CHEBI:62847) is a 6α-hydroxy steroid (CHEBI:36850)
IUPAC Name 
estra-1,3,5(10)-triene-3,6α,17β-triol
Synonym  Source
6α-hydroxyestradiolChEBI
UniProt Name  Source
6α-hydroxy-17β-estradiolUniProt
Citations