| Primary information |
|---|
| ID | 20476 |
| Pubchem ID | NA |
| Name | (3a;5b;7a;12a)-24-[(carboxymethyl)amino]-1;12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid |
| Description | b-D-GlucopyranosIduronic acid; (3a;5b;7a;12a)-24-[(carboxymethyl)amino]-1;12-dihydroxy-24-oxocholan-3-yl is found in the urine of leprosy patients. It is red in color similar to clofazimine. It is considered more polar than the parent drug. It is formed by hydrolytic deamination followed by glucuron |
| Synonym | NA |
| Molecular Weight | 641.7468 |
| Formula | C32H51NO12 |
| IUPAC | (2S;3S;4S;5R;6R)-6-{[(1S;2S;5R;7R;9R;10R;11S;15R;16S)-14-[(2R)-4-[(carboxymethyl)carbamoyl]butan-2-yl]-9;16-dihydroxy-2;15-dimethyltetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadecan-5-yl]oxy}-3;4;5-trihydroxyoxane-2-carboxylic acid |
| SMILE | [H][C@@]12CCC([C@H](C)CCC(=O)NCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |
| PDB ID | NA |
| KEGG | NA |
| HMDB ID | HMDB0002472 |
| Melting Point (Degree C) | NA |
| Water Solubility | NA |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB
|