Compound
taurodeoxycholate
A bile salt formed in the liver by conjugation of deoxycholate with taurine, usually as the sodium salt. It is used as a cholagogue and choleretic, also industrially as a fat emulsifier.
Structure
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- Class
- Organic compound, anion
- Formula
- C26H44NO6S
- Mass
- 498.706 g/mol
- Charge
- -1
- InChIKey
- AWDRATDZQPNJFN-VAYUFCLWSA-M
- SMILES
- [H][C@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)NCCS(=O)(=O)[O-])[C@@]1(C)CC[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
4 entities
4 entities reached.
0 reported hops4 assembled from the scaffold
What the reference databases state
Statements
7 statements
7 statements · 2 reference databases · Subject: taurodeoxycholate · Sources: Human-GEM, Rhea
- taurodeoxycholate is metabolised by SULT2A1ProteinRhea RHEA:77211Inferred only
- taurodeoxycholate is metabolised by SULT2A1ProteinHuman-GEM MAR12293Inferred only
- taurodeoxycholate is a substrate of BAATProteinHuman-GEM MAR01835Inferred only
- taurodeoxycholate is a substrate of BAATProteinHuman-GEM MAR01837Inferred only
- taurodeoxycholate is transported by ABCB11ProteinHuman-GEM MAR10020Inferred only
- taurodeoxycholate is transported by ABCC11ProteinHuman-GEM MAR10020Inferred only
- taurodeoxycholate is transported by ABCC3ProteinHuman-GEM MAR10020Inferred only
Reactions
13 reactions
CHEBI:1146900+proton+taurodeoxycholatedeoxycholoyl-CoA+taurine
Catalysed by BAAT
Reaction pageReversibleBalancedEC 2.3.1.65GO:0005829
Human-GEM MAR01835CC BY 4.0Reference data
CHEBI:1146900+proton+taurodeoxycholatedeoxycholoyl-CoA+taurine
Catalysed by BAAT
Reaction pageReversibleBalancedEC 2.3.1.65GO:0005777
Human-GEM MAR01837CC BY 4.0Reference data
taurodeoxycholate+MAM03483eMAM03605e
Reaction pageLeft to rightBalancedGO:0005615
Human-GEM MAR06869CC BY 4.0Reference data
taurodeoxycholate+MAM03907eMAM03910e
Reaction pageLeft to rightBalancedGO:0005615
Human-GEM MAR07439CC BY 4.0Reference data
Reaction pageReversibleBalance undeterminableGO:0005615
Human-GEM MAR08959CC BY 4.0Reference data
ATP+water+taurodeoxycholateADP+proton+phosphate(3-)+taurodeoxycholate
Transported by ABCB11 or ABCC3 or ABCC11
Reaction pageLeft to rightBalancedGO:0005829, GO:0005615
Human-GEM MAR10020CC BY 4.0Reference data
hydrogencarbonate+taurodeoxycholatehydrogencarbonate+taurodeoxycholate
Reaction pageReversibleBalancedGO:0005615, GO:0005829
Human-GEM MAR10021CC BY 4.0Reference data
3'-phospho-5'-adenylyl sulfate+taurodeoxycholateproton+adenosine 3',5'-bismonophosphate+MAM03965c
Catalysed by SULT2A1
Reaction pageLeft to rightBalancedEC 2.8.2.14GO:0005829
Human-GEM MAR12293CC BY 4.0Reference data
taurodeoxycholate+waterdeoxycholate+taurine
Reaction pageDirection not assertedBalance undeterminable
Rhea RHEA:47556CC BY 4.0Reference data
taurodeoxycholate+ATP(4-)+watertaurodeoxycholate+ADP(3-)+hydrogenphosphate+hydron
Transported by ABCB11
Reaction pageLeft to rightBalance undeterminable
Rhea RHEA:50080CC BY 4.0Reference data
taurodeoxycholatetaurodeoxycholate
Transported by SLCO1A2 or SLC51A or SLC51B
Reaction pageDirection not assertedBalance undeterminable
Rhea RHEA:71863CC BY 4.0Reference data
taurodeoxycholate+2sodium(1+)taurodeoxycholate+2sodium(1+)
Transported by SLC10A2 or SLC10A1
Reaction pageDirection not assertedBalance undeterminable
Rhea RHEA:72087CC BY 4.0Reference data
Where it reaches
7 systems, 15 regions, 30 tissues, 32 transporter routes — routes, not measurements: transporters known to carry taurodeoxycholate are expressed there, and no source reports it arriving.
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Other names
2 names
Resolves to: taurodeoxycholate
- Systematic name
- 2-[(3alpha,12alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate2-[(3α,12α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonate