EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:233535 - glycochenodeoxycholic acid monosulfate

ChEBI IDCHEBI:233535
ChEBI Nameglycochenodeoxycholic acid monosulfate
Stars
DefinitionA glycochenodeoxycholic acid (CHEBI:36274) that is either sulphated at position 3 (R1= -SO4H; R2= -OH) (CHEBI:72733) or at position 7 (R1= -OH; R2= -SO4H) (CHEBI:52031).
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)
glycochenodeoxycholic acid monosulfate (CHEBI:233535) is a steroid sulfate (CHEBI:16158)