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CHEBI:37894 - 5α-androst-16-en-3-one

ChEBI IDCHEBI:37894
ChEBI Name5α-androst-16-en-3-one
Stars
ASCII Name5alpha-androst-16-en-3-one
DefinitionAn androstanoid that is 5α-androst-16-ene substituted by an oxo group at position 3. It is a steroid pheromone found in high concentrations in the saliva of male pigs,.
Last Modified29 April 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H28O
Net Charge0
Average Mass272.432
Monoisotopic Mass272.21402
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C=CC[C@@]34[H])[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1
InChIKeyHFVMLYAGWXSTQI-QYXZOKGRSA-N
Wikipedia
Roles Classification
Biological Roles:
pheromone  A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour.
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
5α-androst-16-en-3-one (CHEBI:37894) has parent hydride 5α-androst-16-ene (CHEBI:37927)
5α-androst-16-en-3-one (CHEBI:37894) has role mammalian metabolite (CHEBI:75768)
5α-androst-16-en-3-one (CHEBI:37894) has role pheromone (CHEBI:26013)
5α-androst-16-en-3-one (CHEBI:37894) is a 3-oxo steroid (CHEBI:47788)
5α-androst-16-en-3-one (CHEBI:37894) is a androstanoid (CHEBI:50402)
IUPAC Name 
5α-androst-16-en-3-one
Synonym  Source
androstenoneChEBI
Manual XrefsDatabases
LMST02020079LIPID MAPS
HMDB0034406HMDB
AndrostenoneWikipedia
Registry NumbersSources
Reaxys:2379783Reaxys
CAS:18339-16-7ChemIDplus
Citations