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CHEBI:27582 - 16α-hydroxyandrost-4-ene-3,17-dione

ChEBI IDCHEBI:27582
ChEBI Name16α-hydroxyandrost-4-ene-3,17-dione
Stars
ASCII Name16alpha-hydroxyandrost-4-ene-3,17-dione
Secondary ChEBI IDsCHEBI:774, CHEBI:19162
Last Modified6 February 2018
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)[C@H](O)C[C@@]21[H]
InChIInChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-16,21H,3-8,10H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1
InChIKeySSBCZTXGVMMZOT-NBBHSKLNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
16α-hydroxyandrost-4-ene-3,17-dione (CHEBI:27582) has role mouse metabolite (CHEBI:75771)
16α-hydroxyandrost-4-ene-3,17-dione (CHEBI:27582) is a 16α-hydroxy steroid (CHEBI:16799)
16α-hydroxyandrost-4-ene-3,17-dione (CHEBI:27582) is a 17-oxo steroid (CHEBI:19168)
16α-hydroxyandrost-4-ene-3,17-dione (CHEBI:27582) is a 3-oxo steroid (CHEBI:47788)
16α-hydroxyandrost-4-ene-3,17-dione (CHEBI:27582) is a androstanoid (CHEBI:50402)
16α-hydroxyandrost-4-ene-3,17-dione (CHEBI:27582) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
16α-hydroxyandrost-4-ene-3,17-dione
Synonyms  Source
16alpha-Hydroxyandrost-4-ene-3,17-dioneKEGG COMPOUND
4-Androsten-16alpha-ol-3,17-dioneKEGG COMPOUND
16alpha-hydroxyandrost-4-ene-3,17-dioneChEBI
4-androsten-16alpha-ol-3,17-dioneChEBI
UniProt Name  Source
16α-hydroxyandrost-4-ene-3,17-dioneUniProt
Manual XrefsDatabases
C05140KEGG COMPOUND
C05140KEGG COMPOUND
LMST02020065LIPID MAPS
Registry NumbersSources
CAS:63-02-5KEGG COMPOUND