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CHEBI:15994 - 5α-androstane-3,17-dione

ChEBI IDCHEBI:15994
ChEBI Name5α-androstane-3,17-dione
Stars
ASCII Name5alpha-androstane-3,17-dione
DefinitionThe 5α-stereoisomer of androstane-3,17-dione.
Secondary ChEBI IDsCHEBI:2137, CHEBI:12168, CHEBI:20639, CHEBI:40140
Last Modified16 September 2021
DownloadsMolfile
FormulaC19H28O2
Net Charge0
Average Mass288.431
Monoisotopic Mass288.20893
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C(=O)CC[C@@]34[H])[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
InChIKeyRAJWOBJTTGJROA-WZNAKSSCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
5α-androstane-3,17-dione (CHEBI:15994) has role mouse metabolite (CHEBI:75771)
5α-androstane-3,17-dione (CHEBI:15994) is a 3-oxo-5α-steroid (CHEBI:13601)
5α-androstane-3,17-dione (CHEBI:15994) is a androstane-3,17-dione (CHEBI:22542)
Synonyms  Source
5alpha-Androstane-3,17-dioneKEGG COMPOUND
AndrostanedioneKEGG COMPOUND
5alpha-androstane-3,17-dioneChEBI
UniProt Name  Source
5α-androstan-3,17-dioneUniProt
Manual XrefsDatabases
C00674KEGG COMPOUND
C00674KEGG COMPOUND
5SDPDBeChem
DB01561DrugBank
LMST02020085LIPID MAPS
HMDB0000899HMDB
CPD-342MetaCyc
Registry NumbersSources
Reaxys:2218898Reaxys
CAS:846-46-8KEGG COMPOUND
CAS:846-46-8ChemIDplus
CAS:846-46-8NIST Chemistry WebBook
Citations