EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:233476 - Cholic acid sulfate

ChEBI IDCHEBI:233476
ChEBI NameCholic acid sulfate
Stars
DefinitionCholic acid (CHEBI:16359) that is either sulphated at position 3 (R1= -SO4H; R2= -OH) (CHEBI:181798) or at position 7 (R1= -OH; R2= -SO4H)(CHEBI:166724).
Submittermwilliams
DownloadsMolfile
FormulaC24H40O8S
Net Charge0
Average Mass (excl. R groups)374.565
Monoisotopic Mass (excl. R groups)374.28210
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)O)[C@@]3(C)[C@@H](O)C[C@]21[H]
ChEBI Ontology
Outgoing Relation(s)
Cholic acid sulfate (CHEBI:233476) has functional parent cholic acid (CHEBI:16359)
Cholic acid sulfate (CHEBI:233476) is a cholanoid (CHEBI:36078)