EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H29N5O4 |
| Net Charge | 0 |
| Average Mass | 499.571 |
| Monoisotopic Mass | 499.22195 |
| SMILES | CC=Cc1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@H](C)c3ccccc3)N(C(=O)c3cnccn3)[C@H]21 |
| InChI | InChI=1S/C28H29N5O4/c1-3-7-19-10-11-23-24-20(15-32(23)27(19)36)21(16-34)25(33(24)28(37)22-14-29-12-13-30-22)26(35)31-17(2)18-8-5-4-6-9-18/h3-14,17,20-21,24-25,34H,15-16H2,1-2H3,(H,31,35)/t17-,20-,21-,24+,25-/m1/s1 |
| InChIKey | GAGDVGIWPFJCDU-WVJYQVJNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-14607 (CHEBI:103263) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14607 | LINCS |