CHEBI:89268 - 2-hydroxyestradiol 3-methyl ether

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ChEBI Name 2-hydroxyestradiol 3-methyl ether ChEBI ID CHEBI:89268 Definition A 17β-hydroxy steroid that is 17β-estradiol in which the hydrogen at position 2 has been replaced by a hydroxy group and the phenolic hydrogen at position 3 has bee replaced by a methyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H26O3 Net Charge 0 Average Mass 302.409 Monoisotopic Mass 302.18819 InChI InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1 InChIKey MMKYSUOJWFKECQ-SSTWWWIQSA-N SMILES C1=C2C(CC[C@]3([C@@]4(CC[C@@H]([C@]4(CC[C@@]32[H])C)O)[H])[H])=CC(=C1O)OC Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Roles Classification Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing 2-hydroxyestradiol 3-methyl ether (CHEBI:89268) has functional parent 17β-estradiol (CHEBI:16469) 2-hydroxyestradiol 3-methyl ether (CHEBI:89268) has role human urinary metabolite (CHEBI:84087) 2-hydroxyestradiol 3-methyl ether (CHEBI:89268) is a 17β-hydroxy steroid (CHEBI:35343) 2-hydroxyestradiol 3-methyl ether (CHEBI:89268) is a 2-hydroxy steroid (CHEBI:36857) 2-hydroxyestradiol 3-methyl ether (CHEBI:89268) is a aromatic ether (CHEBI:35618) 2-hydroxyestradiol 3-methyl ether (CHEBI:89268) is a C19-steroid (CHEBI:131621) IUPAC Name 3-methoxyestra-1(10),2,4-triene-2,17β-diol Synonyms Sources (17β)-3-methoxyestra-1(10),2,4-triene-2,17-diol IUPAC 2,3,17beta-trihydroxy-1,3,5[10]-estratriene 2-methyl ether HMDB 2-hydroxy-3-methoxy-17β-estradiol UniProt 2-Hydroxyestradiol-3-methyl ether LIPID MAPS 3,17beta-dihydroxy-2-methoxy-1,3,5[10]-estratriene HMDB 3-Methoxy-1,3,5[10]-estratriene-2,17beta-diol HMDB 3-O-Methyl-2-hydroxyestradiol HMDB Manual Xrefs Databases HMDB0000380 HMDB LMST02010051 LIPID MAPS View more database links Registry Numbers Types Sources 5753020 Reaxys Registry Number Reaxys 5976-65-8 CAS Registry Number HMDB Citations Types Sources 11172156 PubMed citation Europe PMC 20606002 PubMed citation Europe PMC 6252315 PubMed citation Europe PMC 966757 PubMed citation Europe PMC Last Modified 10 April 2018