CHEBI:28865 - taurocholic acid

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ChEBI Name taurocholic acid
ChEBI ID CHEBI:28865
Definition A bile acid taurine conjugate of cholic acid that usually occurs as the sodium salt of bile in mammals.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:45901, CHEBI:9408, CHEBI:26854, CHEBI:3672
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Formula C26H45NO7S
Net Charge 0
Average Mass 515.70300
Monoisotopic Mass 515.292
InChI InChI=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)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
InChIKey WBWWGRHZICKQGZ-HZAMXZRMSA-N
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@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS(O)(=O)=O
Metabolite of Species Details
Homo sapiens (NCBI:9606) See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing taurocholic acid (CHEBI:28865) has functional parent cholic acid (CHEBI:16359)
taurocholic acid (CHEBI:28865) has role human metabolite (CHEBI:77746)
taurocholic acid (CHEBI:28865) is a amino sulfonic acid (CHEBI:37793)
taurocholic acid (CHEBI:28865) is a bile acid taurine conjugate (CHEBI:23219)
taurocholic acid (CHEBI:28865) is conjugate acid of taurocholate (CHEBI:36257)
Incoming taurocholate (CHEBI:36257) is conjugate base of taurocholic acid (CHEBI:28865)
IUPAC Name
2-[(3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid
Synonyms Sources
3α,7α,12α-trihydroxy-5β-cholanic acid 24-taurine ChemIDplus
cholic acid taurine conjugate ChemIDplus
Choloyl-taurine KEGG COMPOUND
Cholyltaurine KEGG COMPOUND
N-choloyltaurine ChemIDplus
Taurocholate KEGG COMPOUND
Taurocholic acid KEGG COMPOUND
Database Links Databases
C02258 KEGG COMPOUND
C05122 KEGG COMPOUND
DB04348 DrugBank
HMDB0000036 HMDB
LMST05040001 LIPID MAPS
LSM-5866 LINCS
Taurocholic_acid Wikipedia
TCH PDBeChem
View more database links
Registry Numbers Types Sources
2956951 Beilstein Registry Number Beilstein
2956951 Reaxys Registry Number Reaxys
81-24-3 CAS Registry Number KEGG COMPOUND
81-24-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11160372 PubMed citation Europe PMC
24412572 PubMed citation Europe PMC
24551170 PubMed citation Europe PMC
Last Modified
25 February 2016