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CHEBI:16985 - 5β-androstane-3,17-dione

ChEBI IDCHEBI:16985
ChEBI Name5β-androstane-3,17-dione
Stars
ASCII Name5beta-androstane-3,17-dione
DefinitionAn androstane-3,17-dione with a 5β-configuration.
Secondary ChEBI IDsCHEBI:2145, CHEBI:12176, CHEBI:20660, CHEBI:40692
Last Modified18 October 2017
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+/m1/s1
InChIKeyRAJWOBJTTGJROA-QJISAEMRSA-N
Species of MetaboliteComponentSourceComments
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)
5β-androstane-3,17-dione (CHEBI:16985) has role mouse metabolite (CHEBI:75771)
5β-androstane-3,17-dione (CHEBI:16985) is a 3-oxo-5β-steroid (CHEBI:1624)
5β-androstane-3,17-dione (CHEBI:16985) is a androstane-3,17-dione (CHEBI:22542)
IUPAC Name 
5β-androstane-3,17-dione
Synonyms  Source
5beta-Androstane-3,17-dioneKEGG COMPOUND
5beta-androstane-3,17-dioneChEBI
EtiocholanedioneChemIDplus
Etiocholane-3,17-dioneHMDB
UniProt Name  Source
5β-androstane-3,17-dioneUniProt
Manual XrefsDatabases
C03772KEGG COMPOUND
C03772KEGG COMPOUND
ANOPDBeChem
LMST02020058LIPID MAPS
DB07375DrugBank
5-BETA-ANDROSTANE-317-DIONEMetaCyc
HMDB0003769HMDB
Registry NumbersSources
Reaxys:2218897Reaxys
CAS:1229-12-5KEGG COMPOUND
CAS:1229-12-5ChemIDplus