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CHEBI:233169 - pregnenediol sulfate

ChEBI IDCHEBI:233169
ChEBI Namepregnenediol sulfate
Stars
Submittermwilliams
DownloadsMolfile
FormulaC21H34O5S
Net Charge0
Average Mass398.565
Monoisotopic Mass398.21270
SMILES[H][C@@]12CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C=C(O)OS(=O)(=O)O)CC[C@@]21[H]
InChIInChI=1S/C21H34O5S/c1-20-11-4-3-5-14(20)6-8-16-17-9-7-15(13-19(22)26-27(23,24)25)21(17,2)12-10-18(16)20/h13-18,22H,3-12H2,1-2H3,(H,23,24,25)/t14?,15-,16+,17+,18+,20+,21-/m1/s1
InChIKeyFQMMTZVOIATQFP-DIKHCDEOSA-N
ChEBI Ontology
Outgoing Relation(s)
pregnenediol sulfate (CHEBI:233169) has parent hydride pregnane (CHEBI:8386)
pregnenediol sulfate (CHEBI:233169) is a steroid (CHEBI:35341)