Compound
tauroursodeoxycholate
An organosulfonate oxoanion that is the conjugate base of tauroursodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.
Definition from ChEBI (CHEBI:132028), read 2026-09-23. CC BY 4.0.
Structure
Loading the model…
- Class
- Organic compound, anion
- Formula
- C26H44NO6S
- Mass
- 498.706 g/mol
- Charge
- -1
- InChIKey
- BHTRKEVKTKCXOH-LBSADWJPSA-M
- SMILES
- [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[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
- Look it up
- ChEBIPubChemBy InChIKey
Identity from ChEBI, geometry from PubChem. Not evidence.
What it touches on the way
Mechanistic reach
9 entities
9 entities reached.
0 reported hops9 assembled from the scaffold
- SULT2A1ProteinUNIPROT:Q06520metabolized byInferred only48 paths24 endpoints
- ABCC3ProteinUNIPROT:O15438transported byInferred only33 paths30 endpoints
- SLCO1B3ProteinUNIPROT:Q9NPD5transported byInferred only12 paths2 endpoints
- ABCC4ProteinUNIPROT:O15439transported byInferred only10 paths10 endpoints
- SLC51BProteinUNIPROT:Q86UW2transported byInferred only9 paths9 endpoints
- ABCB11ProteinUNIPROT:O95342transported byInferred only8 paths3 endpoints
- SLC51AProteinUNIPROT:Q86UW1transported byInferred only5 paths5 endpoints
- SLC10A2ProteinUNIPROT:Q12908transported byInferred only4 paths2 endpoints
- SLC10A1ProteinUNIPROT:Q14973transported byInferred only4 paths2 endpoints
What the reference databases state
Chemical structure
- tauroursodeoxycholate 3-sulfate has the functional parent tauroursodeoxycholateCompoundChEBI CHEBI:234530Inferred only
Statements
23 statements
23 statements · 2 reference databases · Subject: tauroursodeoxycholate · Sources: Human-GEM, Rhea
- tauroursodeoxycholate is converted to tauroursodeoxycholate 3-sulfateCompoundRhea RHEA:85727Inferred only
- tauroursodeoxycholate is metabolised by SULT2A1ProteinHuman-GEM MAR12299Inferred only
- tauroursodeoxycholate is metabolised by SULT2A1ProteinRhea RHEA:85727Inferred only
- tauroursodeoxycholate is transported by ABCB11ProteinHuman-GEM MAR10451Inferred only
- tauroursodeoxycholate is transported by ABCB11ProteinRhea RHEA:50072Inferred only
- tauroursodeoxycholate is transported by ABCC11ProteinHuman-GEM MAR10451Inferred only
- tauroursodeoxycholate is transported by ABCC3ProteinHuman-GEM MAR10451Inferred only
- tauroursodeoxycholate is transported by ABCC4ProteinRhea RHEA:66420Inferred only
- tauroursodeoxycholate is transported by SLC10A1ProteinHuman-GEM MAR05437Inferred only
- tauroursodeoxycholate is transported by SLC10A1ProteinRhea RHEA:71927Inferred only
- tauroursodeoxycholate is transported by SLC10A2ProteinRhea RHEA:71927Inferred only
- tauroursodeoxycholate is transported by SLC10A2ProteinHuman-GEM MAR05437Inferred only
Show the remaining 11
- tauroursodeoxycholate is transported by SLC51AProteinRhea RHEA:71843Inferred only
- tauroursodeoxycholate is transported by SLC51BProteinRhea RHEA:71843Inferred only
- tauroursodeoxycholate is transported by SLCO1A2ProteinHuman-GEM MAR06081Inferred only
- tauroursodeoxycholate is transported by SLCO1A2ProteinHuman-GEM MAR06082Inferred only
- tauroursodeoxycholate is transported by SLCO1A2ProteinHuman-GEM MAR06080Inferred only
- tauroursodeoxycholate is transported by SLCO1A2ProteinHuman-GEM MAR06064Inferred only
- tauroursodeoxycholate is transported by SLCO1A2ProteinRhea RHEA:71843Inferred only
- tauroursodeoxycholate is transported by SLCO1B3ProteinHuman-GEM MAR06081Inferred only
- tauroursodeoxycholate is transported by SLCO1B3ProteinHuman-GEM MAR06064Inferred only
- tauroursodeoxycholate is transported by SLCO1B3ProteinHuman-GEM MAR06080Inferred only
- tauroursodeoxycholate is transported by SLCO1B3ProteinHuman-GEM MAR06082Inferred only
Reactions
16 reactions
Reaction pageReversibleBalance undeterminableextracellular space
Human-GEM MAR04150CC BY 4.0Reference data
2sodium(1+)+tauroursodeoxycholate2sodium(1+)+tauroursodeoxycholate
Transported by SLC10A1 or SLC10A2
Reaction pageLeft to rightBalancedextracellular space, cytosol
Human-GEM MAR05437CC BY 4.0Reference data
CHEBI:16856+hydrogencarbonate+tauroursodeoxycholateCHEBI:16856+hydrogencarbonate+tauroursodeoxycholate
Transported by SLCO1A2 & SLCO1B3
Reaction pageReversibleBalancedcytosol, extracellular space
Human-GEM MAR06064CC BY 4.0Reference data
MAM01980c+hydrogencarbonate+tauroursodeoxycholateMAM01980e+hydrogencarbonate+tauroursodeoxycholate
Transported by SLCO1A2 & SLCO1B3
Reaction pageReversibleBalance undeterminablecytosol, extracellular space
Human-GEM MAR06080CC BY 4.0Reference data
hydrogencarbonate+2,4-dinitrophenyl-S-glutathione+tauroursodeoxycholatehydrogencarbonate+2,4-dinitrophenyl-S-glutathione+tauroursodeoxycholate
Transported by SLCO1A2 & SLCO1B3
Reaction pageReversibleBalancedcytosol, extracellular space
Human-GEM MAR06081CC BY 4.0Reference data
hydrogencarbonate+MAM02901c+tauroursodeoxycholatehydrogencarbonate+MAM02901e+tauroursodeoxycholate
Transported by SLCO1A2 & SLCO1B3
Reaction pageReversibleBalancedcytosol, extracellular space
Human-GEM MAR06082CC BY 4.0Reference data
taurine+MAM10042cCHEBI:1146900+tauroursodeoxycholate
Reaction pageLeft to rightBalancedcytosol
Human-GEM MAR10130CC BY 4.0Reference data
taurine+MAM04061cCHEBI:1146900+tauroursodeoxycholate
Catalysed by BAAT
Reaction pageLeft to rightBalancedcytosol
Human-GEM MAR10445CC BY 4.0Reference data
ATP+water+tauroursodeoxycholateADP+proton+phosphate(3-)+tauroursodeoxycholate
Transported by ABCB11 or ABCC3 or ABCC11
Reaction pageLeft to rightBalancedcytosol, extracellular space
Human-GEM MAR10451CC BY 4.0Reference data
3'-phospho-5'-adenylyl sulfate+tauroursodeoxycholateproton+adenosine 3',5'-bismonophosphate+MAM04042c
Catalysed by SULT2A1
Reaction pageLeft to rightBalancedEC 2.8.2.14cytosol
Human-GEM MAR12299CC BY 4.0Reference data
tauroursodeoxycholate+ATP(4-)+watertauroursodeoxycholate+ADP(3-)+hydrogenphosphate+hydron
Transported by ABCB11
Reaction pageLeft to rightBalanced
Rhea RHEA:50072CC BY 4.0Reference data
tauroursodeoxycholate+glutathione+ATP(4-)+watertauroursodeoxycholate+glutathione+ADP(3-)+hydrogenphosphate+hydron
Transported by ABCC4
Reaction pageLeft to rightBalanced
Rhea RHEA:66420CC BY 4.0Reference data
Where it reaches
8 systems, 17 regions, 38 tissues, 59 transporter routes — routes, not measurements: transporters known to carry tauroursodeoxycholate are expressed there, and no source reports it arriving.
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Other names
8 names
Resolves to: tauroursodeoxycholate
- Also called
- 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethane-1-sulfonate2-{[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethane-1-sulfonateN-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)taurine(1-)N-(3α,7β-dihydroxy-5β-cholan-24-oyl)taurine(1−)N-ursodeoxycholoyltaurine(1-)N-ursodeoxycholoyltaurine(1−)
- Systematic name
- 2-[(3alpha,7beta-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate2-[(3α,7β-dihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonate