EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H47N5O6 |
| Net Charge | 0 |
| Average Mass | 573.735 |
| Monoisotopic Mass | 573.35263 |
| SMILES | Cc1noc(C)c1NC(=O)N(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(N(C)C)cc2C(=O)N([C@H](C)CO)C[C@H]1C |
| InChI | InChI=1S/C30H47N5O6/c1-19-16-35(20(2)18-36)29(37)25-15-24(33(6)7)12-13-26(25)40-21(3)11-9-10-14-39-27(19)17-34(8)30(38)31-28-22(4)32-41-23(28)5/h12-13,15,19-21,27,36H,9-11,14,16-18H2,1-8H3,(H,31,38)/t19-,20-,21+,27+/m1/s1 |
| InChIKey | AQPDNHSQVUKPGE-MEFYPOPPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea (CHEBI:123869) is a azamacrocycle (CHEBI:52898) |
| 1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea (CHEBI:123869) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-35311 | LINCS |