EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H41N3O3 |
| Net Charge | 0 |
| Average Mass | 479.665 |
| Monoisotopic Mass | 479.31479 |
| SMILES | Cc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)CC2CCCCC2)O3)cc1 |
| InChI | InChI=1S/C29H41N3O3/c1-20-10-12-24(13-11-20)25-14-26-28(30-15-25)35-27(18-31(4)17-23-8-6-5-7-9-23)21(2)16-32(29(26)34)22(3)19-33/h10-15,21-23,27,33H,5-9,16-19H2,1-4H3/t21-,22-,27+/m1/s1 |
| InChIKey | IZADACILXDNONH-LOYIFYEOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylphenyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:126095) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37662 | LINCS |