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CHEBI:172394 - taurocholate 7-sulfate(2−)

ChEBI IDCHEBI:172394
ChEBI Nametaurocholate 7-sulfate(2−)
Stars
ASCII Nametaurocholate 7-sulfate(2-)
DefinitionA steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of taurocholic acid 7-sulfate; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC26H43NO10S2
Net Charge-2
Average Mass593.761
Monoisotopic Mass593.23394
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)NCCS(=O)(=O)[O-])[C@]1([H])[C@H](OS(=O)(=O)[O-])C2
InChIInChI=1S/C26H45NO10S2/c1-15(4-7-23(30)27-10-11-38(31,32)33)18-5-6-19-24-20(14-22(29)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)37-39(34,35)36/h15-22,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32,33)(H,34,35,36)/p-2/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
InChIKeyUFNAFAYTUSPZIR-HZAMXZRMSA-L
ChEBI Ontology
Outgoing Relation(s)
taurocholate 7-sulfate(2−) (CHEBI:172394) has functional parent taurocholate (CHEBI:36257)
taurocholate 7-sulfate(2−) (CHEBI:172394) is a steroid sulfate oxoanion (CHEBI:59696)
UniProt Name  Source
taurocholate 7-sulfateUniProt
Citations