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CHEBI:63641 - 9α-hydroxyandrosta-1,4-diene-3,17-dione

Default Structure
ChEBI IDCHEBI:63641
ChEBI Name9α-hydroxyandrosta-1,4-diene-3,17-dione
Stars
ASCII Name9alpha-hydroxyandrosta-1,4-diene-3,17-dione
DefinitionA steroid that consists of androstane having double bonds at positions 1 and 4, two keto groups at positions 3 and 17 and a hydroxy group at position 9.
Last Modified19 October 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC19H24O3
Net Charge0
Average Mass300.398
Monoisotopic Mass300.17254
SMILES[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1(O)CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C19H24O3/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/h7-8,11,14-15,22H,3-6,9-10H2,1-2H3/t14-,15-,17-,18-,19+/m0/s1
InChIKeyJCEUDJXAQHPZGL-PLOWYNNNSA-N
ChEBI Ontology
Outgoing Relation(s)
9α-hydroxyandrosta-1,4-diene-3,17-dione (CHEBI:63641) has parent hydride androstane (CHEBI:35509)
9α-hydroxyandrosta-1,4-diene-3,17-dione (CHEBI:63641) is a 17-oxo steroid (CHEBI:19168)
9α-hydroxyandrosta-1,4-diene-3,17-dione (CHEBI:63641) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
9α-hydroxyandrosta-1,4-diene-3,17-dione (CHEBI:63641) is a 9-hydroxy steroid (CHEBI:63644)
IUPAC Name 
9-hydroxyandrosta-1,4-diene-3,17-dione
Synonym  Source
9alpha-Hydroxyandrosta-1,4-diene-3,17-dioneKEGG COMPOUND
UniProt Name  Source
9α-hydroxyandrosta-1,4-diene-3,17-dioneUniProt
Manual XrefsDatabases
C14909KEGG COMPOUND
Citations