EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H14N3O7P |
| Net Charge | 0 |
| Average Mass | 391.276 |
| Monoisotopic Mass | 391.05694 |
| SMILES | O=C(O)CN1C(=O)NC(=Cc2cccn2-c2ccc(P(=O)(O)O)cc2)C1=O |
| InChI | InChI=1S/C16H14N3O7P/c20-14(21)9-19-15(22)13(17-16(19)23)8-11-2-1-7-18(11)10-3-5-12(6-4-10)27(24,25)26/h1-8H,9H2,(H,17,23)(H,20,21)(H2,24,25,26) |
| InChIKey | VKJPUPMRCWBZLR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-3417 (CHEBI:93113) is a pyrroles (CHEBI:26455) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3417 | LINCS |