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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB04348
http://purl.obolibrary.org/obo/dinto_DB04348
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|---|---|
| Preferred Name | taurocholic acid |
| Synonyms |
2-[(4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14S,15R,16R)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid
C26H45NO7S
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| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | taurocholic acid
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|---|---|
| label | taurocholic acid
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| Definition | The product of conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and cholerectic. [PubChem]
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| type | |
| InChIKey | InChIKey=WBWWGRHZICKQGZ-GIHLXUJPSA-N
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| Synonym | 2-[(4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14S,15R,16R)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid
C26H45NO7S
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| xref |
ChEBI:28865
PubChem Compound:46936954
PubChem Substance:46508273
PDB:TCH
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| CASRN | 81-24-3
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| prefixIRI | obo2:dinto_DB04348
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| is transported by |
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| SMILES | C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
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| InChI | InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16-,17+,18+,19+,20+,21-,22-,24+,25+,26-/m1/s1
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