EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H11N3O3 |
| Net Charge | 0 |
| Average Mass | 233.227 |
| Monoisotopic Mass | 233.08004 |
| SMILES | [H]/N=C1\C(=O)c2c(c(C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[H])c([H])n2[H])C([H])=C1[H] |
| InChI | InChI=1S/C11H11N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,12,14H,3,13H2,(H,16,17)/b12-7-/t8-/m0/s1 |
| InChIKey | OLHQENDZXBLIDH-VQLBTBKJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-7-OXO-1H-INDOL-3-YL)PROPANOIC ACID (CHEBI:45965) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 3-[(6Z)-6-imino-7-oxo-6,7-dihydro-1H-indol-3-yl]-L-alanine | PDBeChem |
| (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| TQQ | PDBeChem |