EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H22N4O2 |
| Net Charge | 0 |
| Average Mass | 266.345 |
| Monoisotopic Mass | 266.17428 |
| SMILES | CC(C)[C@H]1COCn2nncc2CC[C@H](C)C(=O)N1 |
| InChI | InChI=1S/C13H22N4O2/c1-9(2)12-7-19-8-17-11(6-14-16-17)5-4-10(3)13(18)15-12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,15,18)/t10-,12+/m0/s1 |
| InChIKey | KMVPRHZQAHHWPR-CMPLNLGQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (5S,8S)-8-methyl-5-propan-2-yl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one (CHEBI:127598) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39155 | LINCS |