EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H25N5O3 |
| Net Charge | 0 |
| Average Mass | 395.463 |
| Monoisotopic Mass | 395.19574 |
| SMILES | O=C(NCC1CC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1cncnc1 |
| InChI | InChI=1S/C21H25N5O3/c27-11-16-15-10-25-17(2-1-3-18(25)28)19(15)26(9-14-6-22-12-23-7-14)20(16)21(29)24-8-13-4-5-13/h1-3,6-7,12-13,15-16,19-20,27H,4-5,8-11H2,(H,24,29)/t15-,16-,19+,20-/m0/s1 |
| InChIKey | RTAKVDRHOCSOCY-FEHORTKBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-1-(5-pyrimidinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:102462) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-13813 | LINCS |