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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5β-androstane-3,17-dione
ChEBI ID CHEBI:16985
ChEBI ASCII Name 5beta-androstane-3,17-dione
Definition An androstane-3,17-dione with a 5β-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2145, CHEBI:40692, CHEBI:12176, CHEBI:20660
Supplier Information
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Formula C19H28O2
Net Charge 0
Average Mass 288.42442
Monoisotopic Mass 288.209
InChI InChI=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
InChIKey RAJWOBJTTGJROA-QJISAEMRSA-N
SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2
Metabolite of Species Details
Mus musculus (NCBI:10090) 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).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via androstane-3,17-dione )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5β-androstane-3,17-dione (CHEBI:16985) has role mouse metabolite (CHEBI:75771)
5β-androstane-3,17-dione (CHEBI:16985) is a androstane-3,17-dione (CHEBI:22542)
IUPAC Name
5β-androstane-3,17-dione
Synonyms Sources
5beta-androstane-3,17-dione ChEBI
5beta-Androstane-3,17-dione KEGG COMPOUND
Etiocholane-3,17-dione HMDB
Etiocholanedione ChemIDplus
Database Links Databases
5-BETA-ANDROSTANE-317-DIONE MetaCyc
ANO PDBeChem
C03772 KEGG COMPOUND
DB07375 DrugBank
HMDB03769 HMDB
LMST02020058 LIPID MAPS
View more database links
Registry Numbers Types Sources
1229-12-5 CAS Registry Number KEGG COMPOUND
1229-12-5 CAS Registry Number ChemIDplus
2218897 Reaxys Registry Number Reaxys
Last Modified
27 January 2016