EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H36N6O3 |
| Net Charge | 0 |
| Average Mass | 480.613 |
| Monoisotopic Mass | 480.28489 |
| SMILES | C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc2cccnc2c1 |
| InChI | InChI=1S/C26H36N6O3/c1-19-14-31(20(2)17-33)26(34)7-5-11-32-23(13-28-29-32)18-35-25(19)16-30(3)15-21-8-9-22-6-4-10-27-24(22)12-21/h4,6,8-10,12-13,19-20,25,33H,5,7,11,14-18H2,1-3H3/t19-,20-,25+/m0/s1 |
| InChIKey | OLIWWUKSUJJEPA-ZYLNGJIFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:112466) is a azamacrocycle (CHEBI:52898) |
| (8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:112466) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23878 | LINCS |