Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5X7OB
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| Ligand Name |
5-{[(3beta,5beta,14beta,17alpha)-3-Hydroxy-24-Oxocholan-24-Yl]amino}benzene-1,3-Dicarboxylic Acid
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| Synonyms |
5-{[(3beta,5beta,14beta,17alpha)-3-Hydroxy-24-Oxocholan-24-Yl]amino}benzene-1,3-Dicarboxylic Acid; FXR_34; BDBM225944; 9L1
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| Structure |
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Download2D MOL |
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| Formula |
C32H45NO6
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| Canonical SMILES |
CC(CCC(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O)C2CCC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C
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| InChI |
1S/C32H45NO6/c1-18(4-9-28(35)33-22-15-19(29(36)37)14-20(16-22)30(38)39)25-7-8-26-24-6-5-21-17-23(34)10-12-31(21,2)27(24)11-13-32(25,26)3/h14-16,18,21,23-27,34H,4-13,17H2,1-3H3,(H,33,35)(H,36,37)(H,38,39)/t18-,21-,23-,24+,25-,26+,27+,31+,32-/m1/s1
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| InChIKey |
BFYYXWCXPZTBMZ-ZCONXCDASA-N
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| PubChem Compound ID | ||||
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