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CHEBI:234529 - ursodeoxycholate 3-sulfate(2−)

ChEBI IDCHEBI:234529
ChEBI Nameursodeoxycholate 3-sulfate(2−)
Stars
ASCII Nameursodeoxycholate 3-sulfate(2-)
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC24H38O7S
Net Charge-2
Average Mass470.628
Monoisotopic Mass470.23492
SMILES[H][C@@]12C[C@H](OS(=O)(=O)[O-])CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)[O-])[C@]1([H])[C@@H](O)C2
InChIInChI=1S/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(31-32(28,29)30)12-15(23)13-20(22)25/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/p-2/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
InChIKeyWHMOBEGYTDWMIG-UZVSRGJWSA-L
ChEBI Ontology
Outgoing Relation(s)
ursodeoxycholate 3-sulfate(2−) (CHEBI:234529) has functional parent ursodeoxycholate (CHEBI:78604)
ursodeoxycholate 3-sulfate(2−) (CHEBI:234529) is a bile acid anion (CHEBI:36235)
ursodeoxycholate 3-sulfate(2−) (CHEBI:234529) is a steroid sulfate oxoanion (CHEBI:59696)
Synonym  Source
UDCA 3-sulfate(2−)SUBMITTER
UniProt Name  Source
ursodeoxycholate 3-sulfateUniProt
Citations