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CHEBI:233649 - isoursodeoxycholate monosulfate

ChEBI IDCHEBI:233649
ChEBI Nameisoursodeoxycholate monosulfate
Stars
DefinitionAn isoursodeoxycholic acid (CHEBI:43419) that is sulphated at either position 3 (R1= -SO4H; R2= -OH) or position 7 (R1= -OH; R2= -SO4H).
Submittermwilliams
DownloadsMolfile
FormulaC24H40O7S
Net Charge0
Average Mass (excl. R groups)358.566
Monoisotopic Mass (excl. R groups)358.28718
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)O
ChEBI Ontology
Outgoing Relation(s)
isoursodeoxycholate monosulfate (CHEBI:233649) is a steroid sulfate (CHEBI:16158)