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CHEBI:232726 - deoxycholic acid sulfate

ChEBI IDCHEBI:232726
ChEBI Namedeoxycholic acid sulfate
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Submittermwilliams
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FormulaC24H40O7S
Net Charge0
Average Mass472.644
Monoisotopic Mass472.24947
SMILESCC(CCC(=O)OS(=O)(=O)O)C1CCC2C3C(O)CC4CCCCC4(C)C3CC(O)C12C
InChIInChI=1S/C24H40O7S/c1-14(7-10-21(27)31-32(28,29)30)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,28,29,30)
InChIKeyIZKWIUMIBAMUCQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
deoxycholic acid sulfate (CHEBI:232726) is a cholanoid (CHEBI:36078)