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CHEBI:87618 - 15α-hydroxyestrone

ChEBI IDCHEBI:87618
ChEBI Name15α-hydroxyestrone
Stars
ASCII Name15alpha-hydroxyestrone
DefinitionA 17-oxo steroid that is estrone substituted by an α-hydroxy group at position 15.
Last Modified3 September 2015
Submitternhn
DownloadsMolfile
FormulaC18H22O3
Net Charge0
Average Mass286.371
Monoisotopic Mass286.15689
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)C(=O)C[C@H](O)[C@@]21[H]
InChIInChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)17(18)15(20)9-16(18)21/h3,5,8,13-15,17,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,17-,18-/m1/s1
InChIKeyFDFNTZDUOBCJMD-DMHIMHRUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (12865317)
Fusarium verticillioides (ncbitaxon:117187) - PubMed (5866044)
Roles Classification
Biological Roles:
fungal xenobiotic metabolite  Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
15α-hydroxyestrone (CHEBI:87618) has functional parent estrone (CHEBI:17263)
15α-hydroxyestrone (CHEBI:87618) has parent hydride estrane (CHEBI:23966)
15α-hydroxyestrone (CHEBI:87618) has role fungal xenobiotic metabolite (CHEBI:76968)
15α-hydroxyestrone (CHEBI:87618) has role human xenobiotic metabolite (CHEBI:76967)
15α-hydroxyestrone (CHEBI:87618) is a 15α-hydroxy steroid (CHEBI:83147)
15α-hydroxyestrone (CHEBI:87618) is a 17-oxo steroid (CHEBI:19168)
15α-hydroxyestrone (CHEBI:87618) is a 3-hydroxy steroid (CHEBI:36834)
15α-hydroxyestrone (CHEBI:87618) is a phenolic steroid (CHEBI:177917)
15α-hydroxyestrone (CHEBI:87618) is a phenols (CHEBI:33853)
IUPAC Name 
3,15α-dihydroxyestra-1,3,5(10)-trien-17-one
Synonyms  Source
15α-hydroxyoestroneChEBI
(15α)-3,15-dihydroxyestra-1,3,5(10)-trien-17-oneIUPAC
UniProt Name  Source
15α-hydroxyestroneUniProt
Registry NumbersSources
Reaxys:2625341Reaxys
Citations