EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174904 - Epitestosterone sulfate

ChEBI IDCHEBI:174904
ChEBI NameEpitestosterone sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O5S
Net Charge0
Average Mass368.495
Monoisotopic Mass368.16574
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](OS(=O)(=O)O)CC[C@@]21[H]
InChIInChI=1S/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15-,16-,17+,18-,19-/m0/s1
InChIKeyWAQBISPOEAOCOG-KZYORJDKSA-N
ChEBI Ontology
Outgoing Relation(s)
Epitestosterone sulfate (CHEBI:174904) is a steroid sulfate (CHEBI:16158)
Epitestosterone sulfate (CHEBI:174904) is conjugate acid of epitestosterone sulfate(1−) (CHEBI:190485)
Incoming Relation(s)
epitestosterone sulfate(1−) (CHEBI:190485) is conjugate base of Epitestosterone sulfate (CHEBI:174904)
IUPAC Name 
[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulate