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CHEBI:189708 - glycyrrhetic acid 3-O-glucuronide
| Formula | C36H54O10 |
| Net Charge | 0 |
| Average Mass | 646.818 |
| Monoisotopic Mass | 646.37170 |
| SMILES | [H][C@]12C(=O)C=C3[C@]4([H])C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C |
| InChI | InChI=1S/C36H54O10/c1-31(2)21-8-11-36(7)27(34(21,5)10-9-22(31)45-29-25(40)23(38)24(39)26(46-29)28(41)42)20(37)16-18-19-17-33(4,30(43)44)13-12-32(19,3)14-15-35(18,36)6/h16,19,21-27,29,38-40H,8-15,17H2,1-7H3,(H,41,42)(H,43,44)/t19-,21-,22-,23-,24-,25+,26-,27+,29+,32+,33-,34-,35+,36+/m0/s1 |
| InChIKey | HLDYLAJAWSKPFZ-QDPIGISRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Glycyrrhiza (ncbitaxon:46347) | Root (BTO:0001188) | DOI (10.1016/j.synbio.2021.07.001) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | sweetening agent Substance that sweeten food, beverages, medications, etc. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of 11β-hydroxysteroid dehydrogenase (EC 1.1.1.146). human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | sweetening agent Substance that sweeten food, beverages, medications, etc. anti-allergic agent A drug used to treat allergic reactions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| glycyrrhetic acid 3-O-glucuronide (CHEBI:189708) has functional parent glycyrrhetinic acid (CHEBI:30853) |
| glycyrrhetic acid 3-O-glucuronide (CHEBI:189708) has role anti-allergic agent (CHEBI:50857) |
| glycyrrhetic acid 3-O-glucuronide (CHEBI:189708) has role EC 1.1.1.146 (11β-hydroxysteroid dehydrogenase) inhibitor (CHEBI:137626) |
| glycyrrhetic acid 3-O-glucuronide (CHEBI:189708) has role human xenobiotic metabolite (CHEBI:76967) |
| glycyrrhetic acid 3-O-glucuronide (CHEBI:189708) has role plant metabolite (CHEBI:76924) |
| glycyrrhetic acid 3-O-glucuronide (CHEBI:189708) has role sweetening agent (CHEBI:50505) |
| glycyrrhetic acid 3-O-glucuronide (CHEBI:189708) is a enone (CHEBI:51689) |
| glycyrrhetic acid 3-O-glucuronide (CHEBI:189708) is a monosaccharide derivative (CHEBI:63367) |
| glycyrrhetic acid 3-O-glucuronide (CHEBI:189708) is a oxo dicarboxylic acid (CHEBI:36145) |
| glycyrrhetic acid 3-O-glucuronide (CHEBI:189708) is a pentacyclic triterpenoid (CHEBI:25872) |
| glycyrrhetic acid 3-O-glucuronide (CHEBI:189708) is a triterpenoid saponin (CHEBI:61778) |
| glycyrrhetic acid 3-O-glucuronide (CHEBI:189708) is a β-D-glucosiduronic acid (CHEBI:15341) |
| IUPAC Name |
|---|
| 30-hydroxy-11,30-dioxoolean-12-en-3β-yl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| glycyrrhetyl 3-monoglucuronide | ChemIDplus |
| 3-MGA | ChemIDplus |
| 3-monoglucuronyl glycyrrhetinic acid | ChEBI |
| 3-O-glucuronopyranosylglycyrrhetinic acid | ChEBI |
| glycyrrhetic acid 3-O-mono-β-D-glucuronide | ChEBI |
| glycyrrhetinic acid 3-O-mono-β-D-glucuronide | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| FDB016976 | FooDB |
| HMDB0037827 | HMDB |
| FJL | PDBeChem |
| CN1789413 | Patent |
| 142103 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:34096-83-8 | ChemIDplus |
| Citations |
|---|