EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:17676 - 2-(β-D-glucopyranosyluronic acid)-D-glucuronic acid
| Formula | C12H18O13 |
| Net Charge | 0 |
| Average Mass | 370.263 |
| Monoisotopic Mass | 370.07474 |
| SMILES | O=C(O)[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/1,2,1/[a2122A-1b_1-5]/1-1/a2-b1 |
| InChI | InChI=1S/C12H18O13/c13-1-2(14)7(10(20)21)24-12(5(1)17)25-8-4(16)3(15)6(9(18)19)23-11(8)22/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2-,3-,4-,5+,6-,7-,8+,11+,12-/m0/s1 |
| InChIKey | IMNADAQGVSDVMI-CCLDAEICSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(β-D-glucopyranosyluronic acid)-D-glucuronic acid (CHEBI:17676) has functional parent D-glucuronic acid (CHEBI:4178) |
| 2-(β-D-glucopyranosyluronic acid)-D-glucuronic acid (CHEBI:17676) is a glucuronic acids (CHEBI:33886) |
| 2-(β-D-glucopyranosyluronic acid)-D-glucuronic acid (CHEBI:17676) is a glycosylglucose (CHEBI:24405) |
| 2-(β-D-glucopyranosyluronic acid)-D-glucuronic acid (CHEBI:17676) is conjugate acid of 2-(β-D-glucopyranosyluronate)-D-glucuronate(2−) (CHEBI:58230) |
| Incoming Relation(s) |
| 2-(β-D-glucopyranosyluronate)-D-glucuronate(2−) (CHEBI:58230) is conjugate base of 2-(β-D-glucopyranosyluronic acid)-D-glucuronic acid (CHEBI:17676) |
| IUPAC Names |
|---|
| (β-D-glucopyranosyloxyuronic acid)-(1→2)-β-D-glucopyranuronic acid |
| 2-O-β-D-glucopyranuronosyl-β-D-glucopyranuronic acid |
| Synonyms | Source |
|---|---|
| 1,2-beta-D-Glucuronosyl-D-glucuronate | KEGG COMPOUND |
| 1,2-beta-D-glucuronosyl-D-glucuronate | ChEBI |
| (1->2)-beta-D-Glucuronosyl-D-glucuronate | KEGG COMPOUND |