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CHEBI:233708 - tauroursodeoxycholic acid monosulfate

ChEBI IDCHEBI:233708
ChEBI Nametauroursodeoxycholic acid monosulfate
Stars
DefinitionA tauroursodeoxycholic acid (CHEBI:80774) that is sulphated at either position 3 (R1= -SO4H; R2= -OH) or position 7 (R1= -OH; R2= -SO4H).
Submittermwilliams
DownloadsMolfile
FormulaC26H45NO9S2
Net Charge0
Average Mass (excl. R groups)465.700
Monoisotopic Mass (excl. R groups)465.29128
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(=O)NCCS(=O)(=O)O
ChEBI Ontology
Outgoing Relation(s)
tauroursodeoxycholic acid monosulfate (CHEBI:233708) is a steroid sulfate (CHEBI:16158)