EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:15863 - 4-(4-deoxy-β-D-gluc-4-enosyluronic acid)-D-galacturonic acid
| Formula | C12H16O12 |
| Net Charge | 0 |
| Average Mass | 352.248 |
| Monoisotopic Mass | 352.06418 |
| SMILES | O=C(O)C1=C[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2C(=O)O)O1 |
| WURCS | WURCS=2.0/1,1,0/[a2112A-1x_1-5_4*OC^RC^RC^SC=^XCCO/8=O/7O$3/5O/4O]/1/ |
| InChI | InChI=1S/C12H16O12/c13-2-1-3(9(17)18)22-12(4(2)14)24-7-5(15)6(16)11(21)23-8(7)10(19)20/h1-2,4-8,11-16,21H,(H,17,18)(H,19,20)/t2-,4+,5+,6+,7+,8-,11?,12-/m0/s1 |
| InChIKey | LLVVMXFNKAHVEZ-HFKJOTJWSA-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) |
| 4-(4-deoxy-β-D-gluc-4-enosyluronic acid)-D-galacturonic acid (CHEBI:15863) is a 4-(4-deoxy-D-gluc-4-enosyluronic acid)-D-galacturonic acid (CHEBI:35333) |
| 4-(4-deoxy-β-D-gluc-4-enosyluronic acid)-D-galacturonic acid (CHEBI:15863) is conjugate acid of 4-(4-deoxy-β-D-gluc-4-enosyluronate)-D-galacturonate(2−) (CHEBI:57544) |
| Incoming Relation(s) |
| 4-(4-deoxy-β-D-gluc-4-enosyluronate)-D-galacturonate(2−) (CHEBI:57544) is conjugate base of 4-(4-deoxy-β-D-gluc-4-enosyluronic acid)-D-galacturonic acid (CHEBI:15863) |
| IUPAC Name |
|---|
| 4-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-D-galactopyranuronic acid |
| Synonym | Source |
|---|---|
| 4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate | KEGG COMPOUND |