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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: | 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. hypoglycemic agent A drug which lowers the blood glucose level. anti-asthmatic agent Any compound that has anti-asthmatic effects. hepatoprotective agent Any compound that is able to prevent damage to the liver. |
| 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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