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CHEBI:233571 - glycoursodeoxycholic acid monosulfate

ChEBI IDCHEBI:233571
ChEBI Nameglycoursodeoxycholic acid monosulfate
Stars
DefinitionA glycoursodeoxycholic acid (CHEBI:89929) that is sulphated at either position 3 (R1= -SO4H; R2,R3= -OH) (CHEBI:89129) or position 7 (R1,R3= -OH; R2= -SO4H).
Submittermwilliams
DownloadsMolfile
FormulaC26H43NO8S
Net Charge0
Average Mass (excl. R groups)415.618
Monoisotopic Mass (excl. R groups)415.30864
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)NCC(=O)O
ChEBI Ontology
Outgoing Relation(s)
glycoursodeoxycholic acid monosulfate (CHEBI:233571) is a bile acid glycine conjugate (CHEBI:36255)
glycoursodeoxycholic acid monosulfate (CHEBI:233571) is a steroid sulfate (CHEBI:16158)