EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H18O11 |
| Net Charge | 0 |
| Average Mass | 326.254 |
| Monoisotopic Mass | 326.08491 |
| SMILES | O=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/2,2,1/[a2122A-1b_1-5][a212h-1b_1-5]/1-2/a3-b1 |
| InChI | InChI=1S/C11H18O11/c12-2-1-20-11(4(14)3(2)13)22-7-5(15)8(9(17)18)21-10(19)6(7)16/h2-8,10-16,19H,1H2,(H,17,18)/t2-,3+,4-,5+,6-,7+,8+,10-,11+/m1/s1 |
| InChIKey | KHUHHRGROFQXMG-KVBULMAESA-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) |
| β-D-Xylp-(1→3)-β-D-GlcpA (CHEBI:149024) has functional parent β-D-glucuronic acid (CHEBI:28860) |
| β-D-Xylp-(1→3)-β-D-GlcpA (CHEBI:149024) has functional parent β-D-xylose (CHEBI:28161) |
| β-D-Xylp-(1→3)-β-D-GlcpA (CHEBI:149024) is a carbohydrate acid (CHEBI:33720) |
| β-D-Xylp-(1→3)-β-D-GlcpA (CHEBI:149024) is a glycosylglucopyranuronic acid (CHEBI:152563) |
| IUPAC Name |
|---|
| 3-O-β-D-xylopyranosyl-β-D-glucopyranuronic acid |
| Synonyms | Source |
|---|---|
| β-D-xylo-pentopyranosyl-(1→3)-β-D-gluco-hexopyranuronic acid | IUPAC |
| Xyl(b1-3)b-GlcA | SUBMITTER |
| (2S,3S,4S,5R,6R)-3,5,6-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid | IUPAC |