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CHEBI:231145 - Turosteride

ChEBI IDCHEBI:231145
ChEBI NameTurosteride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H45N3O3
Net Charge0
Average Mass459.675
Monoisotopic Mass459.34609
SMILESCC(C)NC(=O)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InChIInChI=1S/C27H45N3O3/c1-16(2)28-25(33)30(17(3)4)24(32)21-10-9-19-18-8-11-22-27(6,15-13-23(31)29(22)7)20(18)12-14-26(19,21)5/h16-22H,8-15H2,1-7H3,(H,28,33)/t18-,19-,20-,21+,22+,26-,27+/m0/s1
InChIKeyWMPQMBUXZHMEFZ-YJPJVVPASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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)
Turosteride (CHEBI:231145) has role androgen (CHEBI:50113)
Turosteride (CHEBI:231145) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-]quinoline-1-carboxamide
Manual XrefsDatabases
59380ChemSpider