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CHEBI:136899 - chenodeoxycholic acid 24-O-(β-D-glucuronide)(1−)
| Formula | C30H47O10 |
| Net Charge | -1 |
| Average Mass | 567.696 |
| Monoisotopic Mass | 567.31747 |
| SMILES | [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)[C@]1([H])[C@H](O)C2 |
| InChI | InChI=1S/C30H48O10/c1-14(4-7-21(33)39-28-25(36)23(34)24(35)26(40-28)27(37)38)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(31)12-15(29)13-20(22)32/h14-20,22-26,28,31-32,34-36H,4-13H2,1-3H3,(H,37,38)/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1 |
| InChIKey | ZTJBLIAPAIPNJE-BWGRGVIUSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| chenodeoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136899) is a monocarboxylic acid anion (CHEBI:35757) |
| chenodeoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136899) is a steroid glucosiduronic acid anion (CHEBI:136637) |
| chenodeoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136899) is a β-D-glucosiduronate (CHEBI:83411) |
| chenodeoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136899) is conjugate base of chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) |
| Incoming Relation(s) |
| chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) is conjugate acid of chenodeoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136899) |
| IUPAC Name |
|---|
| 1-O-(3α,7α-dihydroxy-24-oxo-5β-cholan-24-yl)-β-D-glucopyranuronate |
| Synonyms | Source |
|---|---|
| CDCA-24G(1−) | SUBMITTER |
| 1-O-[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl]-β-D-glucopyranuronate | IUPAC |
| UniProt Name | Source |
|---|---|
| chenodeoxycholoyl-24-O-(β-D-glucuronate) | UniProt |
| Citations |
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