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CHEBI:233698 - pregnenediol disulfate

ChEBI IDCHEBI:233698
ChEBI Namepregnenediol disulfate
Stars
Submittermwilliams
DownloadsMolfile
FormulaC21H34O8S2
Net Charge0
Average Mass478.629
Monoisotopic Mass478.16951
SMILES[H][C@@]12CC=C3C[C@@H](OS(=O)(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)OS(=O)(=O)O
InChIInChI=1S/C21H34O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19H,5-12H2,1-3H3,(H,22,23,24)(H,25,26,27)/t13-,15-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKeySFWAHNPYTQLNLU-YZXCLFAISA-N
ChEBI Ontology
Outgoing Relation(s)
pregnenediol disulfate (CHEBI:233698) is a steroid sulfate (CHEBI:16158)