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CHEBI:166769 - 5-Androstene-3beta,16beta,17alpha-triol

ChEBI IDCHEBI:166769
ChEBI Name5-Androstene-3beta,16beta,17alpha-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O3
Net Charge0
Average Mass306.446
Monoisotopic Mass306.21949
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](O)[C@@H](O)C[C@@]21[H]
InChIInChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13+,14-,15-,16-,17+,18-,19-/m0/s1
InChIKeyGUGSXATYPSGVAY-CUZKMJQKSA-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)
5-Androstene-3beta,16beta,17alpha-triol (CHEBI:166769) has role androgen (CHEBI:50113)
5-Androstene-3beta,16beta,17alpha-triol (CHEBI:166769) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(3S,8R,9S,10R,13S,14S,16S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16,17-triol
Manual XrefsDatabases
13628101ChemSpider
HMDB0000523HMDB
LMST02020098LIPID MAPS