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CHEBI:36259 - taurolithocholic acid
| Formula | C26H45NO5S |
| Net Charge | 0 |
| Average Mass | 483.715 |
| Monoisotopic Mass | 483.30184 |
| SMILES | [H][C@]12CC[C@]3([H])[C@]([H])(CC[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 |
| InChI | InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1 |
| InChIKey | QBYUNVOYXHFVKC-GBURMNQMSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| Applications: | hepatoprotective agent Any compound that is able to prevent damage to the liver. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. anti-asthmatic agent Any compound that has anti-asthmatic effects. hypoglycemic agent A drug which lowers the blood glucose level. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| taurolithocholic acid (CHEBI:36259) has functional parent lithocholic acid (CHEBI:16325) |
| taurolithocholic acid (CHEBI:36259) has role anti-asthmatic agent (CHEBI:65023) |
| taurolithocholic acid (CHEBI:36259) has role hepatoprotective agent (CHEBI:62868) |
| taurolithocholic acid (CHEBI:36259) has role human metabolite (CHEBI:77746) |
| taurolithocholic acid (CHEBI:36259) has role hypoglycemic agent (CHEBI:35526) |
| taurolithocholic acid (CHEBI:36259) has role immunosuppressive agent (CHEBI:35705) |
| taurolithocholic acid (CHEBI:36259) is a bile acid taurine conjugate (CHEBI:23219) |
| taurolithocholic acid (CHEBI:36259) is a monocarboxylic acid amide (CHEBI:29347) |
| taurolithocholic acid (CHEBI:36259) is conjugate acid of taurolithocholate (CHEBI:17179) |
| Incoming Relation(s) |
| Sodium taurolithocholate (CHEBI:229584) has functional parent taurolithocholic acid (CHEBI:36259) |
| taurolithocholic acid sulfate (CHEBI:17864) has functional parent taurolithocholic acid (CHEBI:36259) |
| taurolithocholate (CHEBI:17179) is conjugate base of taurolithocholic acid (CHEBI:36259) |
| IUPAC Name |
|---|
| 2-[(3α-hydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid |
| Synonyms | Source |
|---|---|
| lithocholyltaurine | ChemIDplus |
| Taurolithocholate | KEGG COMPOUND |
| Taurolithocholic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C02592 | KEGG COMPOUND |
| HMDB0000722 | HMDB |
| LMST05040003 | LIPID MAPS |
| Taurolithocholic_acid | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3181237 | Reaxys |
| Beilstein:3181237 | Beilstein |
| CAS:516-90-5 | ChemIDplus |
| CAS:516-90-5 | KEGG COMPOUND |
| Citations |
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