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CHEBI:233761 - ursodeoxycholate monosulfate

ChEBI IDCHEBI:233761
ChEBI Nameursodeoxycholate monosulfate
Stars
DefinitionA ursodeoxycholic acid (CHEBI:9907) that is sulphated at either position 3 (R1= -SO4H; R2,R3= -OH) (CHEBI:89499), position 9 (R2= -SO4H; R1,R3= -OH), or position 24 (R3= -SO4H; R1,R2= -OH).
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])(C1)C[C@H]([2*])[C@]1([H])[C@]2([H])CC[C@@]2(C)[C@@]1([H])CC[C@]2([H])[C@H](C)CCC([3*])=O
ChEBI Ontology
Outgoing Relation(s)
ursodeoxycholate monosulfate (CHEBI:233761) is a steroid sulfate (CHEBI:16158)