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CHEBI:166768 - 4-Chloromethandienone

ChEBI IDCHEBI:166768
ChEBI Name4-Chloromethandienone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27ClO2
Net Charge0
Average Mass334.887
Monoisotopic Mass334.16996
SMILES[H][C@@]12CCC3=C(Cl)C(=O)C=C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(C)O
InChIInChI=1S/C20H27ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,23H,4-7,10-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1
InChIKeyAGUNEISBPXQOPA-XMUHMHRVSA-N
Roles Classification
Biological Role:
androgen  A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
ChEBI Ontology
Outgoing Relation(s)
4-Chloromethandienone (CHEBI:166768) has role androgen (CHEBI:50113)
4-Chloromethandienone (CHEBI:166768) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(8R,9S,10R,13S,14S,17S)-4-chloro-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
88972ChemSpider
HMDB0004634HMDB
Registry NumbersSources
CAS:2446-23-3ChemIDplus