CHEBI:231145 - Turosteride

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ChEBI Name Turosteride
ChEBI ID CHEBI:231145
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H45N3O3
Net Charge 0
Average Mass 459.675
Monoisotopic Mass 459.34609
InChI InChI=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
InChIKey WMPQMBUXZHMEFZ-YJPJVVPASA-N
SMILES O=C(N(C(C)C)C(=O)NC(C)C)[C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@]4([C@H](N(C(=O)CC4)C)CC3)C)CC2)CC1)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
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.
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ChEBI Ontology
Outgoing 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 Xref Database
59380 ChemSpider
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