CHEBI:1156 - 2-hydroxyestrone

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ChEBI Name 2-hydroxyestrone ChEBI ID CHEBI:1156 Definition A 2-hydroxy steroid that is estrone substituted by a hydroxy group at position 2. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ZINC000085552707 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H22O3 Net Charge 0 Average Mass 286.36548 Monoisotopic Mass 286.15689 InChI InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1 InChIKey SWINWPBPEKHUOD-JPVZDGGYSA-N SMILES [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(O)cc21 Metabolite of Species Details 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). View more via ChEBI Ontology ChEBI Ontology Outgoing 2-hydroxyestrone (CHEBI:1156) has functional parent estrone (CHEBI:17263) 2-hydroxyestrone (CHEBI:1156) has role human metabolite (CHEBI:77746) 2-hydroxyestrone (CHEBI:1156) is a 2-hydroxy steroid (CHEBI:36857) 2-hydroxyestrone (CHEBI:1156) is a catechols (CHEBI:33566) Incoming 2-hydroxy-3-O-methyl estrone (CHEBI:136980) has functional parent 2-hydroxyestrone (CHEBI:1156) 2-hydroxyestrone 2-O-(β-D-glucuronide) (CHEBI:137957) has functional parent 2-hydroxyestrone (CHEBI:1156) 2-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137924) has functional parent 2-hydroxyestrone (CHEBI:1156) estra-1(10),4-diene-2,3,17-trione (CHEBI:87262) has functional parent 2-hydroxyestrone (CHEBI:1156) IUPAC Name 2,3-dihydroxyestra-1,3,5(10)-trien-17-one Synonyms Sources 2-hydroxyestrone UniProt 2-Hydroxyestrone KEGG COMPOUND Manual Xrefs Databases C05298 KEGG COMPOUND HMDB0000343 HMDB LMST02010032 LIPID MAPS View more database links Registry Numbers Types Sources 2221833 Reaxys Registry Number Reaxys 362-06-1 CAS Registry Number KEGG COMPOUND 362-06-1 CAS Registry Number ChemIDplus Citations Types Sources 11054642 PubMed citation Europe PMC 29713726 PubMed citation Europe PMC 8337235 PubMed citation Europe PMC Last Modified 08 October 2018