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CHEBI:195625 - 3α-sulfotaurodeoxycholate(2−)

ChEBI IDCHEBI:195625
ChEBI Name3α-sulfotaurodeoxycholate(2−)
Stars
ASCII Name3alpha-sulfotaurodeoxycholate(2-)
Last Modified27 June 2025
Submitterlaimo
DownloadsMolfile
FormulaC26H43NO9S2
Net Charge-2
Average Mass577.762
Monoisotopic Mass577.23902
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)NCCS(=O)(=O)[O-])[C@@]1(C)CC[C@@H](OS(=O)(=O)[O-])C2
InChIInChI=1S/C26H45NO9S2/c1-16(4-9-24(29)27-12-13-37(30,31)32)20-7-8-21-19-6-5-17-14-18(36-38(33,34)35)10-11-25(17,2)22(19)15-23(28)26(20,21)3/h16-23,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35)/p-2/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
InChIKeyUCVGCHGIKFWAGH-VAYUFCLWSA-L
ChEBI Ontology
Outgoing Relation(s)
3α-sulfotaurodeoxycholate(2−) (CHEBI:195625) is a cholanic acid conjugate anion (CHEBI:131879)
3α-sulfotaurodeoxycholate(2−) (CHEBI:195625) is a steroid sulfate oxoanion (CHEBI:59696)
3α-sulfotaurodeoxycholate(2−) (CHEBI:195625) is conjugate base of taurodeoxycholic acid 3-sulfate (CHEBI:233167)
Synonym  Source
taurodeoxycholate 3α-sulfate(2−)SUBMITTER
UniProt Name  Source
taurodeoxycholate 3-sulfateUniProt
Citations