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CHEBI:172400 - tauro-α-muricholate(1−)

ChEBI IDCHEBI:172400
ChEBI Nametauro-α-muricholate(1−)
Stars
ASCII Nametauro-alpha-muricholate(1-)
DefinitionThe conjugate base of tauro-α-muricholic acid obtained by deprotonation of the carboxylic acid function; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC26H44NO7S
Net Charge-1
Average Mass514.705
Monoisotopic Mass514.28440
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](O)[C@@]21[H]
InChIInChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)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)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/p-1/t15-,16-,17-,18+,19+,20+,22+,23+,24+,25-,26-/m1/s1
InChIKeyXSOLDPYUICCHJX-QQXJNSDFSA-M
ChEBI Ontology
Outgoing Relation(s)
tauro-α-muricholate(1−) (CHEBI:172400) is a bile acid anion (CHEBI:36235)
tauro-α-muricholate(1−) (CHEBI:172400) is conjugate base of tauro-α-muricholic acid (CHEBI:139136)
Incoming Relation(s)
tauro-α-muricholate 7-sulfate(2−) (CHEBI:172401) has functional parent tauro-α-muricholate(1−) (CHEBI:172400)
tauro-α-muricholic acid (CHEBI:139136) is conjugate acid of tauro-α-muricholate(1−) (CHEBI:172400)
UniProt Name  Source
tauro-α-muricholateUniProt
Citations