EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:184287 - 1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one

ChEBI IDCHEBI:184287
ChEBI Name1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O5
Net Charge0
Average Mass338.444
Monoisotopic Mass338.20932
SMILES[H][C@@]12C[C@@H](O)[C@@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C19H30O5/c1-17-6-5-13-11(12(17)3-4-14(17)21)8-16(23)19(24)9-10(20)7-15(22)18(13,19)2/h10-13,15-16,20,22-24H,3-9H2,1-2H3/t10-,11-,12-,13-,15+,16+,17-,18-,19-/m0/s1
InChIKeyONHQGXIEYFYVDF-MESRZZFMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
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)
1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one (CHEBI:184287) has role androgen (CHEBI:50113)
1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one (CHEBI:184287) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(1R,3S,5R,6R,8R,9S,10S,13S,14S)-1,3,5,6-tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
Manual XrefsDatabases
128906ChemSpider
LMST02020108LIPID MAPS
Registry NumbersSources
CAS:90134-60-4ChemIDplus