EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H35N5O5 |
| Net Charge | 0 |
| Average Mass | 509.607 |
| Monoisotopic Mass | 509.26382 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)Oc1cccc2ccccc12 |
| InChI | InChI=1S/C27H35N5O5/c1-19-15-31(20(2)17-33)26(34)12-7-13-32-22(14-28-29-32)18-36-25(19)16-30(3)27(35)37-24-11-6-9-21-8-4-5-10-23(21)24/h4-6,8-11,14,19-20,25,33H,7,12-13,15-18H2,1-3H3/t19-,20-,25-/m1/s1 |
| InChIKey | WIMCLPXWPPGBKL-UMEGOILYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcarbamic acid 1-naphthalenyl ester (CHEBI:97034) is a azamacrocycle (CHEBI:52898) |
| N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcarbamic acid 1-naphthalenyl ester (CHEBI:97034) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-8413 | LINCS |