EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H16N2O4 |
| Net Charge | 0 |
| Average Mass | 276.292 |
| Monoisotopic Mass | 276.11101 |
| SMILES | O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@H](O)C[C@H]12 |
| InChI | InChI=1S/C14H16N2O4/c17-9-3-1-8(2-4-9)5-11-14(20)16-7-10(18)6-12(16)13(19)15-11/h1-4,10-12,17-18H,5-7H2,(H,15,19)/t10-,11+,12-/m1/s1 |
| InChIKey | JEKJKMJDASOZRW-GRYCIOLGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ruegeria (ncbitaxon:97050) | - | PubMed (14586767) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cyclo-(L-Tyrosyl-cis-4-hydroxy-D-proline (CHEBI:221005) has functional parent α-amino acid (CHEBI:33704) |
| Cyclo-(L-Tyrosyl-cis-4-hydroxy-D-proline (CHEBI:221005) is a organonitrogen compound (CHEBI:35352) |
| Cyclo-(L-Tyrosyl-cis-4-hydroxy-D-proline (CHEBI:221005) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (3S,7R,8aR)-7-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| Manual Xrefs | Databases |
|---|---|
| 78439801 | ChemSpider |