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CHEBI:183916 - Finasteride Carboxylic Acid

ChEBI IDCHEBI:183916
ChEBI NameFinasteride Carboxylic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34N2O4
Net Charge0
Average Mass402.535
Monoisotopic Mass402.25186
SMILES[H][C@@]12CC[C@@]3([H])NC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(=O)NC(C)(C)C(=O)O)CC[C@@]21[H]
InChIInChI=1S/C23H34N2O4/c1-21(2,20(28)29)25-19(27)16-7-6-14-13-5-8-17-23(4,12-10-18(26)24-17)15(13)9-11-22(14,16)3/h10,12-17H,5-9,11H2,1-4H3,(H,24,26)(H,25,27)(H,28,29)/t13-,14-,15-,16+,17+,22-,23+/m0/s1
InChIKeyOFTBMAPJHKDDJV-MKMSXTRJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
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)
Finasteride Carboxylic Acid (CHEBI:183916) has role androgen (CHEBI:50113)
Finasteride Carboxylic Acid (CHEBI:183916) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
2-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-]quinoline-1-carbonyl]amino]-2-methylpropanoic acid
Manual XrefsDatabases
18612025ChemSpider
Registry NumbersSources
CAS:116285-37-1ChemIDplus