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

ChEBI IDCHEBI:85549
ChEBI Name9α-hydroxyandrost-4-en-3,17-dione
Stars
ASCII Name9alpha-hydroxyandrost-4-en-3,17-dione
DefinitionA 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.
Last Modified23 April 2015
Submitternhn
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1(O)CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=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
InChIKeySNMVJSSWZSJOGL-PLOWYNNNSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
9α-hydroxyandrostenedioneChemIDplus
9α-hydroxy-4-androstene-3,17-dioneChemIDplus
9-OH-ADChemIDplus
9α-hydroxyandrost-4-ene-3,17-dioneChemIDplus
UniProt Name  Source
9α-hydroxy-androst-4-ene-3,17-dioneUniProt
Manual XrefsDatabases
EP0624162Patent
CPD-13706MetaCyc
Registry NumbersSources
Reaxys:2059636Reaxys
CAS:560-62-3ChemIDplus
Citations