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CHEBI:233536 - glycocholic acid monosulfate

ChEBI IDCHEBI:233536
ChEBI Nameglycocholic acid monosulfate
Stars
DefinitionA glycocholic acid (CHEBI:17687) that is sulphated at position 3 (R1= -SO4H; R2,R3= -OH), position 7 (R1,R3= -OH; R2= -SO4H) (CHEBI:187589) or position 12 (R1,R2= -OH; R3= -SO4H) (CHEBI:186078).
Submittermwilliams
DownloadsMolfile
FormulaC26H43NO9S
Net Charge0
Average Mass (excl. R groups)414.610
Monoisotopic Mass (excl. R groups)414.30082
SMILES[1*][C@@H]1CC[C@@]2(C)[C@@]([H])(C1)C[C@@H]([2*])[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)CCC(=O)NCC(=O)O)[C@@]3(C)[C@@H]([3*])C[C@]21[H]
ChEBI Ontology
Outgoing Relation(s)
glycocholic acid monosulfate (CHEBI:233536) is a steroid sulfate (CHEBI:16158)