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CHEBI:52022 - taurohyocholic acid

ChEBI IDCHEBI:52022
ChEBI Nametaurohyocholic acid
Stars
Last Modified8 July 2025
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H45NO7S
Net Charge0
Average Mass515.713
Monoisotopic Mass515.29167
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)/t15-,16-,17-,18+,19+,20+,22+,23-,24+,25-,26-/m1/s1
InChIKeyXSOLDPYUICCHJX-QZEPYOAJSA-N
ChEBI Ontology
Outgoing Relation(s)
taurohyocholic acid (CHEBI:52022) has functional parent hyocholic acid (CHEBI:81244)
taurohyocholic acid (CHEBI:52022) has functional parent taurine (CHEBI:15891)
taurohyocholic acid (CHEBI:52022) is a 3α-hydroxy steroid (CHEBI:36835)
taurohyocholic acid (CHEBI:52022) is a 6α-hydroxy steroid (CHEBI:36850)
taurohyocholic acid (CHEBI:52022) is a 7α-hydroxy steroid (CHEBI:36843)
taurohyocholic acid (CHEBI:52022) is a organosulfonic acid (CHEBI:33551)
taurohyocholic acid (CHEBI:52022) is a secondary carboxamide (CHEBI:140325)
taurohyocholic acid (CHEBI:52022) is conjugate acid of taurohyocholate (CHEBI:58874)
Incoming Relation(s)
taurohyocholate (CHEBI:58874) is conjugate base of taurohyocholic acid (CHEBI:52022)
IUPAC Name 
2-[(3α,6α,7α-trihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid
Synonyms  Source
N-(3α,6α,7α-trihydroxy-5β-cholan-24-oyl)taurineKEGG COMPOUND
TaurohyocholateKEGG COMPOUND
Manual XrefsDatabases
C15516KEGG COMPOUND
LMST05040010LIPID MAPS
Citations