CHEBI:1189 - 2-methoxyestrone

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ChEBI Name 2-methoxyestrone ChEBI ID CHEBI:1189 Definition A 17-oxo steroid that is estrone in which the hydrogen at position 2 has been replaced by a methoxy group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ZINC000000902225 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H24O3 Net Charge 0 Average Mass 300.39206 Monoisotopic Mass 300.17254 InChI InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1 InChIKey WHEUWNKSCXYKBU-QPWUGHHJSA-N SMILES [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(OC)cc21 Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Homo sapiens (NCBI:txid9606) See: DOI Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing 2-methoxyestrone (CHEBI:1189) has functional parent estrone (CHEBI:17263) 2-methoxyestrone (CHEBI:1189) has role human metabolite (CHEBI:77746) 2-methoxyestrone (CHEBI:1189) has role mouse metabolite (CHEBI:75771) 2-methoxyestrone (CHEBI:1189) is a 17-oxo steroid (CHEBI:19168) 2-methoxyestrone (CHEBI:1189) is a 3-hydroxy steroid (CHEBI:36834) 2-methoxyestrone (CHEBI:1189) is a alicyclic ketone (CHEBI:36132) 2-methoxyestrone (CHEBI:1189) is a aromatic ether (CHEBI:35618) 2-methoxyestrone (CHEBI:1189) is a phenolic steroid (CHEBI:177917) 2-methoxyestrone (CHEBI:1189) is a phenols (CHEBI:33853) Incoming 2-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:37450) has functional parent 2-methoxyestrone (CHEBI:1189) IUPAC Name 3=hydroxy-2-methoxyestra-1,3,5(10)-trien-17-one Synonyms Sources 2-Methoxyestrone KEGG COMPOUND 2-methoxyestrone UniProt Manual Xrefs Databases C05299 KEGG COMPOUND LMST02010033 LIPID MAPS View more database links Registry Number Type Source 362-08-3 CAS Registry Number KEGG COMPOUND Citations Types Sources 14577664 PubMed citation Europe PMC 21488127 PubMed citation Europe PMC Last Modified 20 July 2017