EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| 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(O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O |
| WURCS | WURCS=2.0/2,2,1/[a2112A-1x_1-5][a2112A-1a_1-5]/1-2/a4-b1 |
| InChI | InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6+,7-,8-,11?,12-/m0/s1 |
| InChIKey | IGSYEZFZPOZFNC-LKIWRGPLSA-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) |
| α-D-GalpA-(1→4)-D-GalpA (CHEBI:141006) is a digalacturonic acid (CHEBI:33809) |
| α-D-GalpA-(1→4)-D-GalpA (CHEBI:141006) is conjugate acid of α-D-galacturonosyl-(1→4)-D-galacturonate(2−) (CHEBI:141004) |
| Incoming Relation(s) |
| α-D-GalpA-(1→4)-α-D-GalpA (CHEBI:40583) is a α-D-GalpA-(1→4)-D-GalpA (CHEBI:141006) |
| α-D-galacturonosyl-(1→4)-D-galacturonate(2−) (CHEBI:141004) is conjugate base of α-D-GalpA-(1→4)-D-GalpA (CHEBI:141006) |
| IUPAC Names |
|---|
| 4-O-α-D-galactopyranuronosyl-D-galactopyranuronic acid |
| α-D-galactopyranuronosyl-(1→4)-D-galactopyranuronic acid |
| Synonyms | Source |
|---|---|
| α-D-GalpA-(1→4)-D-GalpA | ChEBI |
| 4-(α-D-glucopyranosyluronic acid)-D-glucuronic acid | ChEBI |