EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H22N4O8 |
| Net Charge | 0 |
| Average Mass | 482.449 |
| Monoisotopic Mass | 482.14376 |
| SMILES | [H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])C(=O)c1c([H])c([H])c([C@]([H])(C(=O)O[H])C([H])([H])c2c([H])c([H])c3nc(N([H])[H])nc(O[H])c3c2[H])c([H])c1[H] |
| InChI | InChI=1S/C23H22N4O8/c24-23-26-16-6-1-11(10-15(16)20(31)27-23)9-14(21(32)33)12-2-4-13(5-3-12)19(30)25-17(22(34)35)7-8-18(28)29/h1-6,10,14,17H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H,34,35)(H3,24,26,27,31)/t14-,17+/m1/s1 |
| InChIKey | DAOQLLQRJAXMGY-PBHICJAKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID (CHEBI:44393) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID | PDBeChem |
| N-({4-[(1R)-2-(2-amino-4-hydroxyquinazolin-6-yl)-1-carboxyethyl]phenyl}carbonyl)-L-glutamic acid | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| NHR | PDBeChem |