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CHEBI:137822 - hyodeoxycholic acid 6-O-(β-D-glucuronide)
| Formula | C30H48O10 |
| Net Charge | 0 |
| Average Mass | 568.704 |
| Monoisotopic Mass | 568.32475 |
| SMILES | [H][C@@]12C[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)O |
| InChI | InChI=1S/C30H48O10/c1-14(4-7-22(32)33)17-5-6-18-16-13-21(39-28-25(36)23(34)24(35)26(40-28)27(37)38)20-12-15(31)8-10-30(20,3)19(16)9-11-29(17,18)2/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15-,16+,17-,18+,19+,20+,21+,23+,24+,25-,26+,28-,29-,30-/m1/s1 |
| InChIKey | MAXKTGFGXCXJFY-HHUAQUJWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (23756265) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hyodeoxycholic acid 6-O-(β-D-glucuronide) (CHEBI:137822) has functional parent hyodeoxycholic acid (CHEBI:52023) |
| hyodeoxycholic acid 6-O-(β-D-glucuronide) (CHEBI:137822) has role human urinary metabolite (CHEBI:84087) |
| hyodeoxycholic acid 6-O-(β-D-glucuronide) (CHEBI:137822) is a dicarboxylic acid (CHEBI:35692) |
| hyodeoxycholic acid 6-O-(β-D-glucuronide) (CHEBI:137822) is a steroid glucosiduronic acid (CHEBI:26763) |
| hyodeoxycholic acid 6-O-(β-D-glucuronide) (CHEBI:137822) is a β-D-glucosiduronic acid (CHEBI:15341) |
| hyodeoxycholic acid 6-O-(β-D-glucuronide) (CHEBI:137822) is conjugate acid of hyodeoxycholate 6-O-(β-D-glucuronide)(2−) (CHEBI:136905) |
| Incoming Relation(s) |
| hyodeoxycholate 6-O-(β-D-glucuronide)(2−) (CHEBI:136905) is conjugate base of hyodeoxycholic acid 6-O-(β-D-glucuronide) (CHEBI:137822) |
| IUPAC Name |
|---|
| 6α-(β-D-glucopyranuronosyloxy)-3α-hydroxy-5β-cholan-24-oic acid |
| Synonyms | Source |
|---|---|
| hyodeoxycholic acid 6-glucuronide | ChEBI |
| hyodeoxycholic acid 6-(β-D-glucuronide) | ChEBI |
| HDCA-6G | ChEBI |
| hyodeoxycholic acid 6-β-glucuronide | ChEBI |
| 3α,6α-dihydroxy-5β-cholan-24-oic acid 6-D-glucuronide | LIPID MAPS |
| 6α-glucuronosylhyodeoxycholate | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| C11246 | KEGG COMPOUND |
| LMST05010016 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7061223 | Reaxys |
| CAS:76060-17-8 | ChemIDplus |
| Citations |
|---|