EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H39N3O6 |
| Net Charge | 0 |
| Average Mass | 513.635 |
| Monoisotopic Mass | 513.28389 |
| SMILES | COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccc1OC)[C@@H](C)CO2 |
| InChI | InChI=1S/C28H39N3O6/c1-19-14-31(15-21-9-7-8-10-24(21)35-5)20(2)17-37-25-12-11-22(29-27(32)18-34-4)13-23(25)28(33)30(3)16-26(19)36-6/h7-13,19-20,26H,14-18H2,1-6H3,(H,29,32)/t19-,20+,26+/m1/s1 |
| InChIKey | PWYLLXJABFYBFY-GOHWNWGWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-methoxy-N-[(4S,7R,8R)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide (CHEBI:110846) is a azamacrocycle (CHEBI:52898) |
| 2-methoxy-N-[(4S,7R,8R)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide (CHEBI:110846) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22290 | LINCS |