CHEBI:85549 - 9α-hydroxyandrost-4-en-3,17-dione

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ChEBI Name 9α-hydroxyandrost-4-en-3,17-dione ChEBI ID CHEBI:85549 ChEBI ASCII Name 9alpha-hydroxyandrost-4-en-3,17-dione Definition A 3-oxo-Δ4-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17 and a hydroxy group at position 9. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel 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 302.40790 Monoisotopic Mass 302.18819 InChI InChI=1S/C19H26O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h11,14-15,22H,3-10H2,1-2H3/t14-,15-,17-,18-,19+/m0/s1 InChIKey SNMVJSSWZSJOGL-PLOWYNNNSA-N SMILES C[C@]12CC[C@@]3(O)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O ChEBI Ontology Outgoing 9α-hydroxyandrost-4-en-3,17-dione (CHEBI:85549) has functional parent androst-4-ene-3,17-dione (CHEBI:16422) 9α-hydroxyandrost-4-en-3,17-dione (CHEBI:85549) is a 17-oxo steroid (CHEBI:19168) 9α-hydroxyandrost-4-en-3,17-dione (CHEBI:85549) is a 3-oxo-Δ4 steroid (CHEBI:47909) 9α-hydroxyandrost-4-en-3,17-dione (CHEBI:85549) is a 9-hydroxy steroid (CHEBI:63644) IUPAC Name 9-hydroxyandrost-4-ene-3,17-dione Synonyms Sources 9-OH-AD ChemIDplus 9α-hydroxy-4-androstene-3,17-dione ChemIDplus 9α-hydroxy-androst-4-ene-3,17-dione UniProt 9α-hydroxyandrost-4-ene-3,17-dione ChemIDplus 9α-hydroxyandrostenedione ChemIDplus Manual Xrefs Databases CPD-13706 MetaCyc EP0624162 Patent View more database links Registry Numbers Types Sources 2059636 Reaxys Registry Number Reaxys 560-62-3 CAS Registry Number ChemIDplus Citations Types Sources 1512705 PubMed citation Europe PMC 1527709 PubMed citation Europe PMC 15647937 PubMed citation Europe PMC 17136536 PubMed citation Europe PMC 18031290 PubMed citation Europe PMC 20391766 PubMed citation Europe PMC 21790029 PubMed citation Europe PMC 21987574 PubMed citation SUBMITTER 23474435 PubMed citation Europe PMC 25635031 PubMed citation Europe PMC Last Modified 23 April 2015