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CHEBI:233496 - deoxycholic acid monosulfate

ChEBI IDCHEBI:233496
ChEBI Namedeoxycholic acid monosulfate
Stars
DefinitionDeoxycholic acid (CHEBI:28834) that sulphated at position 3 (R1= -SO4H; R2,R3= -OH) (CHEBI:88888), position 12 (R1,R3= -OH; R2= -SO4H) (CHEBI:233494) or position 24 (R1,R2= -OH; R3= -SO4H) (CHEBI:232726).
Submittermwilliams
DownloadsMolfile
FormulaC24H40O7S
Net Charge0
Average Mass (excl. R groups)341.559
Monoisotopic Mass (excl. R groups)341.28444
SMILES[1*][C@@H]1CC[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])C[C@H]([2*])[C@@]2(C)[C@@]3([H])CC[C@]2([H])[C@H](C)CCC([3*])=O)C1
ChEBI Ontology
Outgoing Relation(s)
deoxycholic acid monosulfate (CHEBI:233496) has functional parent deoxycholic acid (CHEBI:28834)
deoxycholic acid monosulfate (CHEBI:233496) is a steroid sulfate (CHEBI:16158)