CHEBI:80774 - tauroursodeoxycholic acid

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ChEBI Name tauroursodeoxycholic acid
Definition A bile acid taurine conjugate derived from ursoodeoxycholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:132326
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Formula C26H45NO6S
Net Charge 0
Average Mass 499.706
Monoisotopic Mass 499.29676
InChI InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1
SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC(NCCS(O)(=O)=O)=O)C)[H])C)[H])C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
apoptosis inhibitor
Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
bone density conservation agent
An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
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ChEBI Ontology
Outgoing tauroursodeoxycholic acid (CHEBI:80774) has functional parent ursodeoxycholic acid (CHEBI:9907)
tauroursodeoxycholic acid (CHEBI:80774) has role anti-inflammatory agent (CHEBI:67079)
tauroursodeoxycholic acid (CHEBI:80774) has role apoptosis inhibitor (CHEBI:68494)
tauroursodeoxycholic acid (CHEBI:80774) has role bone density conservation agent (CHEBI:50646)
tauroursodeoxycholic acid (CHEBI:80774) has role cardioprotective agent (CHEBI:77307)
tauroursodeoxycholic acid (CHEBI:80774) has role human metabolite (CHEBI:77746)
tauroursodeoxycholic acid (CHEBI:80774) has role neuroprotective agent (CHEBI:63726)
tauroursodeoxycholic acid (CHEBI:80774) is a bile acid taurine conjugate (CHEBI:23219)
tauroursodeoxycholic acid (CHEBI:80774) is conjugate acid of tauroursodeoxycholate (CHEBI:132028)
Incoming tauroursodeoxycholate (CHEBI:132028) is conjugate base of tauroursodeoxycholic acid (CHEBI:80774)
2-[(3α,7β-dihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid
Synonyms Sources
2-(((3-alpha,5-beta,7-beta)-3,7-Dihydroxy-24-oxocholan-24-yl) amino)ethanesulfonic acid HMDB
2-{[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethane-1-sulfonic acid IUPAC
3α,7β-dihydroxy-5β-cholanoyltaurine HMDB
N-(3-alpha,7-beta-Dihydroxy-5-beta-cholan-24-oyl)-Taurine HMDB
N-(3α,7β-dihydroxy-5β-cholan-24-oyl)taurine ChEBI
N-ursodeoxycholoyltaurine ChEBI
Taurolite ChemIDplus
UR 906 ChemIDplus
Ursodeoxycholyltaurine HMDB
Manual Xrefs Databases
5D5 PDBeChem
CPD-18799 MetaCyc
HMDB0000874 HMDB
Tauroursodeoxycholic_acid Wikipedia
View more database links
Registry Numbers Types Sources
14605-22-2 CAS Registry Number ChemIDplus
3228312 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25664595 PubMed citation Europe PMC
26282527 PubMed citation Europe PMC
26427442 PubMed citation Europe PMC
26499839 PubMed citation Europe PMC
26541419 PubMed citation Europe PMC
26748055 PubMed citation Europe PMC
26759227 PubMed citation Europe PMC
26765262 PubMed citation Europe PMC
26907328 PubMed citation Europe PMC
26922713 PubMed citation Europe PMC
26988565 PubMed citation Europe PMC
27106542 PubMed citation Europe PMC
27124655 PubMed citation Europe PMC
27154200 PubMed citation Europe PMC
27219292 PubMed citation Europe PMC
Last Modified
30 June 2016