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CHEBI:191406 - tauroallocholate(1−)

ChEBI IDCHEBI:191406
ChEBI Nametauroallocholate(1−)
Stars
ASCII Nametauroallocholate(1-)
Submitterlaimo
DownloadsMolfile
FormulaC26H44NO7S
Net Charge-1
Average Mass514.705
Monoisotopic Mass514.28440
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](O)C2
InChIInChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/p-1/t15-,16-,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
InChIKeyWBWWGRHZICKQGZ-FETCCXJJSA-M
ChEBI Ontology
Outgoing Relation(s)
tauroallocholate(1−) (CHEBI:191406) has functional parent allocholate (CHEBI:137661)
tauroallocholate(1−) (CHEBI:191406) is a bile acid anion (CHEBI:36235)
tauroallocholate(1−) (CHEBI:191406) is conjugate base of taurallocholic acid (CHEBI:145226)
Incoming Relation(s)
taurallocholic acid (CHEBI:145226) is conjugate acid of tauroallocholate(1−) (CHEBI:191406)
Synonyms  Source
allocholyltaurine(1−)SUBMITTER
tauro-5α-cholate(1−)SUBMITTER
UniProt Name  Source
tauroallocholateUniProt
Citations