EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C35H44N4O6 |
| Net Charge | 0 |
| Average Mass | 616.759 |
| Monoisotopic Mass | 616.32609 |
| SMILES | C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)C(=O)c1ccccc1 |
| InChI | InChI=1S/C35H44N4O6/c1-24-21-39(25(2)23-40)35(43)30-20-29(37-33(41)27-15-17-36-18-16-27)13-14-31(30)45-26(3)10-8-9-19-44-32(24)22-38(4)34(42)28-11-6-5-7-12-28/h5-7,11-18,20,24-26,32,40H,8-10,19,21-23H2,1-4H3,(H,37,41)/t24-,25+,26+,32-/m1/s1 |
| InChIKey | IDICBOGPMQOFGC-XDMKPEOCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3S,9S,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:106895) is a azamacrocycle (CHEBI:52898) |
| N-[(3S,9S,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:106895) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18249 | LINCS |