CHEBI:166768 - 4-Chloromethandienone

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ChEBI Name 4-Chloromethandienone
ChEBI ID CHEBI:166768
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information eMolecules:28205206
Download Molfile XML SDF
Formula C20H27ClO2
Net Charge 0
Average Mass 334.880
Monoisotopic Mass 334.16996
InChI InChI=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
InChIKey AGUNEISBPXQOPA-XMUHMHRVSA-N
SMILES ClC1=C2[C@]([C@@]3([C@]([C@]4([C@@]([C@@](O)(CC4)C)(CC3)C)[H])(CC2)[H])[H])(C)C=CC1=O
Roles Classification
Biological Role(s): androgen
A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
88972 ChemSpider
HMDB0004634 HMDB
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Registry Number Type Source
2446-23-3 CAS Registry Number ChemIDplus