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CHEBI:195622 - 3α-sulfodeoxycholate(2−)

ChEBI IDCHEBI:195622
ChEBI Name3α-sulfodeoxycholate(2−)
Stars
ASCII Name3alpha-sulfodeoxycholate(2-)
Last Modified27 June 2025
Submitterlaimo
DownloadsMolfile
FormulaC24H38O7S
Net Charge-2
Average Mass470.628
Monoisotopic Mass470.23492
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)[O-])[C@@]1(C)CC[C@@H](OS(=O)(=O)[O-])C2
InChIInChI=1S/C24H40O7S/c1-14(4-9-22(26)27)18-7-8-19-17-6-5-15-12-16(31-32(28,29)30)10-11-23(15,2)20(17)13-21(25)24(18,19)3/h14-21,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/p-2/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKeyARGCPGOJOKCMSW-LLQZFEROSA-L
ChEBI Ontology
Outgoing Relation(s)
3α-sulfodeoxycholate(2−) (CHEBI:195622) is a bile acid anion (CHEBI:36235)
3α-sulfodeoxycholate(2−) (CHEBI:195622) is a steroid sulfate oxoanion (CHEBI:59696)
Synonym  Source
deoxycholate 3α-sulfate(2−)SUBMITTER
UniProt Name  Source
deoxycholate 3-sulfateUniProt
Citations