Compound
taurochenodeoxycholate
An organosulfonate oxoanion that is the conjugate base of taurochenodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.
Definition from ChEBI (CHEBI:9407), read 2026-09-23. CC BY 4.0.
Structure
- Class
- Organic compound, anion
- Formula
- C26H44NO6S
- Mass
- 498.706 g/mol
- Charge
- -1
- InChIKey
- BHTRKEVKTKCXOH-BJLOMENOSA-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
- ChEBIBy InChIKey
Identity from ChEBI. Not evidence.
What it touches on the way
Mechanistic reach
12 entities
12 entities reached.
0 reported hops12 assembled from the scaffold
- CYP3A4ProteinUNIPROT:P08684metabolized byInferred only53 paths53 endpoints
- SULT2A1ProteinUNIPROT:Q06520metabolized byInferred only48 paths24 endpoints
- ABCC3ProteinUNIPROT:O15438transported byInferred only33 paths30 endpoints
- SLC7A9ProteinUNIPROT:P82251transported byInferred only27 paths9 endpoints
- ABCC4ProteinUNIPROT:O15439transported byInferred only20 paths10 endpoints
- SLC51BProteinUNIPROT:Q86UW2transported byInferred only18 paths9 endpoints
- SLCO1B3ProteinUNIPROT:Q9NPD5transported byInferred only12 paths2 endpoints
- SLC51AProteinUNIPROT:Q86UW1transported byInferred only10 paths5 endpoints
- ABCB11ProteinUNIPROT:O95342transported byInferred only8 paths3 endpoints
- SLC10A2ProteinUNIPROT:Q12908transported byInferred only4 paths2 endpoints
- SLC10A1ProteinUNIPROT:Q14973transported byInferred only4 paths2 endpoints
- ABCC1ProteinUNIPROT:P33527transported byInferred only2 paths2 endpoints
What the reference databases state
Statements
30 statements
30 statements · 2 reference databases · Subject: taurochenodeoxycholate · Sources: Human-GEM, Rhea
- taurochenodeoxycholate is converted to taurochenodeoxycholate 3-sulfateCompoundRhea RHEA:85743Inferred only
- taurochenodeoxycholate is metabolised by CYP3A4ProteinHuman-GEM MAR12289Inferred only
- taurochenodeoxycholate is metabolised by SULT2A1ProteinRhea RHEA:85743Inferred only
- taurochenodeoxycholate is metabolised by SULT2A1ProteinHuman-GEM MAR12290Inferred only
- taurochenodeoxycholate is transported by ABCB11ProteinHuman-GEM MAR01872Inferred only
- taurochenodeoxycholate is transported by ABCB11ProteinRhea RHEA:50064Inferred only
- taurochenodeoxycholate is transported by ABCC1ProteinHuman-GEM MAR01872Inferred only
- taurochenodeoxycholate is transported by ABCC3ProteinHuman-GEM MAR01872Inferred only
- taurochenodeoxycholate is transported by ABCC4ProteinRhea RHEA:66412Inferred only
- taurochenodeoxycholate is transported by ABCC4ProteinHuman-GEM MAR01872Inferred only
- taurochenodeoxycholate is transported by SLC10A1ProteinHuman-GEM MAR01866Inferred only
- taurochenodeoxycholate is transported by SLC10A1ProteinRhea RHEA:71923Inferred only
Show the remaining 18
- taurochenodeoxycholate is transported by SLC10A2ProteinHuman-GEM MAR01866Inferred only
- taurochenodeoxycholate is transported by SLC10A2ProteinRhea RHEA:71923Inferred only
- taurochenodeoxycholate is transported by SLC51AProteinHuman-GEM MAR01872Inferred only
- taurochenodeoxycholate is transported by SLC51AProteinRhea RHEA:71855Inferred only
- taurochenodeoxycholate is transported by SLC51BProteinRhea RHEA:71855Inferred only
- taurochenodeoxycholate is transported by SLC51BProteinHuman-GEM MAR01872Inferred only
- taurochenodeoxycholate is transported by SLC7A9ProteinHuman-GEM MAR01893Inferred only
- taurochenodeoxycholate is transported by SLC7A9ProteinHuman-GEM MAR01892Inferred only
- taurochenodeoxycholate is transported by SLC7A9ProteinHuman-GEM MAR01879Inferred only
- taurochenodeoxycholate is transported by SLCO1A2ProteinHuman-GEM MAR01893Inferred only
- taurochenodeoxycholate is transported by SLCO1A2ProteinHuman-GEM MAR01879Inferred only
- taurochenodeoxycholate is transported by SLCO1A2ProteinHuman-GEM MAR01892Inferred only
- taurochenodeoxycholate is transported by SLCO1A2ProteinHuman-GEM MAR01894Inferred only
- taurochenodeoxycholate is transported by SLCO1A2ProteinRhea RHEA:71855Inferred only
- taurochenodeoxycholate is transported by SLCO1B3ProteinHuman-GEM MAR01892Inferred only
- taurochenodeoxycholate is transported by SLCO1B3ProteinHuman-GEM MAR01879Inferred only
- taurochenodeoxycholate is transported by SLCO1B3ProteinHuman-GEM MAR01894Inferred only
- taurochenodeoxycholate is transported by SLCO1B3ProteinHuman-GEM MAR01893Inferred only
Reactions
26 reactions
CHEBI:28701+taurineCHEBI:1146900+taurochenodeoxycholate
Catalysed by BAAT
Reaction pageLeft to rightBalancedEC 2.3.1.65peroxisome
Human-GEM MAR01720CC BY 4.0Reference data
CHEBI:28701+taurineCHEBI:1146900+taurochenodeoxycholate
Catalysed by BAAT
Reaction pageLeft to rightBalancedEC 2.3.1.65cytosol
Human-GEM MAR01723CC BY 4.0Reference data
taurochenodeoxycholatetaurochenodeoxycholate
Reaction pageReversibleBalancedEC 4.2.1.17extracellular space, cytosol
Human-GEM MAR01733CC BY 4.0Reference data
taurochenodeoxycholatetaurochenodeoxycholate
Reaction pageReversibleBalancedperoxisome, cytosol
Human-GEM MAR01734CC BY 4.0Reference data
2ATP+2water+taurochenodeoxycholate2ADP+2proton+2phosphate(3-)+taurochenodeoxycholate
Reaction pageLeft to rightBalancedperoxisome, extracellular space
Human-GEM MAR01861CC BY 4.0Reference data
2sodium(1+)+taurochenodeoxycholate2sodium(1+)+taurochenodeoxycholate
Transported by SLC10A1 or SLC10A2
Reaction pageLeft to rightBalancedextracellular space, cytosol
Human-GEM MAR01866CC BY 4.0Reference data
ATP+water+taurochenodeoxycholateADP+proton+phosphate(3-)+taurochenodeoxycholate
Transported by ABCB11 or ABCC1 or ABCC3 or ABCC4 or SLC51A or SLC51B
Reaction pageLeft to rightBalancedcytosol, extracellular space
Human-GEM MAR01872CC BY 4.0Reference data
CHEBI:16856+hydrogencarbonate+taurochenodeoxycholateCHEBI:16856+hydrogencarbonate+taurochenodeoxycholate
Transported by SLC7A9 or SLCO1A2 or SLCO1B3
Reaction pageReversibleBalancedcytosol, extracellular space
Human-GEM MAR01879CC BY 4.0Reference data
MAM01980c+hydrogencarbonate+taurochenodeoxycholateMAM01980e+hydrogencarbonate+taurochenodeoxycholate
Transported by SLC7A9 or SLCO1A2 or SLCO1B3
Reaction pageReversibleBalance undeterminablecytosol, extracellular space
Human-GEM MAR01892CC BY 4.0Reference data
hydrogencarbonate+2,4-dinitrophenyl-S-glutathione+taurochenodeoxycholatehydrogencarbonate+2,4-dinitrophenyl-S-glutathione+taurochenodeoxycholate
Transported by SLC7A9 or SLCO1A2 or SLCO1B3
Reaction pageReversibleBalancedcytosol, extracellular space
Human-GEM MAR01893CC BY 4.0Reference data
hydrogencarbonate+MAM02901c+taurochenodeoxycholatehydrogencarbonate+MAM02901e+taurochenodeoxycholate
Transported by SLCO1A2 or SLCO1B3
Reaction pageReversibleBalancedcytosol, extracellular space
Human-GEM MAR01894CC BY 4.0Reference data
ATP+water+taurochenodeoxycholateADP+proton+phosphate(3-)+taurochenodeoxycholate
Reaction pageLeft to rightBalancedperoxisome, extracellular space
Human-GEM MAR02298CC BY 4.0Reference data
Where it reaches
8 systems, 18 regions, 41 tissues, 68 transporter routes — routes, not measurements: transporters known to carry taurochenodeoxycholate are expressed there, and no source reports it arriving.
Loading the model…
Other names
5 names
Resolves to: taurochenodeoxycholate
- Also called
- taurochenodeoxycholate aniontaurochenodeoxycholate(1-)taurochenodeoxycholate(1−)
- Systematic name
- 2-[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate2-[(3α,7α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonate