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CHEBI:233168 - (3alpha,5)-3-(sulfooxy)pregnan-20-one

ChEBI IDCHEBI:233168
ChEBI Name(3alpha,5)-3-(sulfooxy)pregnan-20-one
Stars
Submittermwilliams
DownloadsMolfile
FormulaC21H34O5S
Net Charge0
Average Mass398.565
Monoisotopic Mass398.21270
SMILES[H]C12CC[C@@]3([H])[C@]4([H])CC[C@]([H])(C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](OS(=O)(=O)O)C2
InChIInChI=1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)/t14?,15-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKeyMENQCIVHHONJLU-JMTGGFPBSA-N
ChEBI Ontology
Outgoing Relation(s)
(3alpha,5)-3-(sulfooxy)pregnan-20-one (CHEBI:233168) is a steroid sulfate (CHEBI:16158)
Synonym  Source
(allo)pregnanolone sulfateSUBMITTER