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CHEBI:232564 - 4-Androsten-3beta,17beta-diol 3-sulfate

ChEBI IDCHEBI:232564
ChEBI Name4-Androsten-3beta,17beta-diol 3-sulfate
Stars
Submittermwilliams
DownloadsMolfile
FormulaC19H30O5S
Net Charge0
Average Mass370.511
Monoisotopic Mass370.18140
SMILES[H][C@@]12CCC3=C[C@@H](OS(=O)(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h11,13-17,20H,3-10H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,17-,18-,19-/m0/s1
InChIKeyVPDALJSLCNNODJ-LOVVWNRFSA-N
ChEBI Ontology
Outgoing Relation(s)
4-Androsten-3beta,17beta-diol 3-sulfate (CHEBI:232564) is a steroid sulfate (CHEBI:16158)
IUPAC Name 
[(1S,2R,5S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-yl]oxidanesulfonic acid
Manual XrefsDatabases
HMDB0186954HMDB