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

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ChEBI Name 16α-hydroxyandrost-4-ene-3,17-dione
ChEBI ID CHEBI:27582
ChEBI ASCII Name 16alpha-hydroxyandrost-4-ene-3,17-dione
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19162, CHEBI:774
Supplier Information
Download Molfile XML SDF
Formula C19H26O3
Net Charge 0
Average Mass 302.40794
Monoisotopic Mass 302.18819
InChI InChI=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
InChIKey SSBCZTXGVMMZOT-NBBHSKLNSA-N
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]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
16alpha-Hydroxyandrost-4-ene-3,17-dione KEGG COMPOUND
16alpha-hydroxyandrost-4-ene-3,17-dione ChEBI
16α-hydroxyandrost-4-ene-3,17-dione UniProt
4-Androsten-16alpha-ol-3,17-dione KEGG COMPOUND
4-androsten-16alpha-ol-3,17-dione ChEBI
Manual Xrefs Databases
C05140 KEGG COMPOUND
LMST02020065 LIPID MAPS
View more database links
Registry Number Type Source
63-02-5 CAS Registry Number KEGG COMPOUND
Last Modified
06 February 2018