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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9α-hydroxyandrosta-1,4-diene-3,17-dione
ChEBI ID CHEBI:63641
ChEBI ASCII Name 9alpha-hydroxyandrosta-1,4-diene-3,17-dione
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C19H24O3
Net Charge 0
Average Mass 300.39210
Monoisotopic Mass 300.17254
InChI InChI=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
InChIKey JCEUDJXAQHPZGL-PLOWYNNNSA-N
SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1(O)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
ChEBI Ontology
Outgoing 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-Δ14-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
Synonyms Sources
9alpha-Hydroxyandrosta-1,4-diene-3,17-dione KEGG COMPOUND
9α-hydroxyandrosta-1,4-diene-3,17-dione UniProt
Manual Xref Database
C14909 KEGG COMPOUND
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Citations Waiting for Citations Types Sources
19234303 PubMed citation SUBMITTER
19561185 PubMed citation SUBMITTER
Last Modified
19 October 2017