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CHEBI:172401 - tauro-α-muricholate 7-sulfate(2−)

ChEBI IDCHEBI:172401
ChEBI Nametauro-α-muricholate 7-sulfate(2−)
Stars
ASCII Nametauro-alpha-muricholate 7-sulfate(2-)
DefinitionA steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of glycocholic acid 7-sulfate; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC26H43NO10S2
Net Charge-2
Average Mass593.761
Monoisotopic Mass593.23394
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)NCCS(=O)(=O)[O-])[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@@]21[H]
InChIInChI=1S/C26H45NO10S2/c1-15(4-7-21(29)27-12-13-38(31,32)33)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)37-39(34,35)36/h15-20,22-24,28,30H,4-14H2,1-3H3,(H,27,29)(H,31,32,33)(H,34,35,36)/p-2/t15-,16-,17-,18+,19+,20+,22+,23+,24+,25-,26-/m1/s1
InChIKeyZQNYLSSCIXOIBO-QQXJNSDFSA-L
ChEBI Ontology
Outgoing Relation(s)
tauro-α-muricholate 7-sulfate(2−) (CHEBI:172401) has functional parent tauro-α-muricholate(1−) (CHEBI:172400)
tauro-α-muricholate 7-sulfate(2−) (CHEBI:172401) is a steroid sulfate oxoanion (CHEBI:59696)
UniProt Name  Source
tauro-α-muricholate 7-sulfateUniProt
Citations