EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C31H37N3O3 |
| Net Charge | 0 |
| Average Mass | 499.655 |
| Monoisotopic Mass | 499.28349 |
| SMILES | O=C(NC1Cc2ccccc2C1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1CC1CC1 |
| InChI | InChI=1S/C31H37N3O3/c35-18-26-25-17-33-27(13-12-24(31(33)37)20-6-2-1-3-7-20)28(25)34(16-19-10-11-19)29(26)30(36)32-23-14-21-8-4-5-9-22(21)15-23/h4-6,8-9,12-13,19,23,25-26,28-29,35H,1-3,7,10-11,14-18H2,(H,32,36)/t25-,26-,28+,29-/m1/s1 |
| InChIKey | PHOOWRBANIDAQI-PPTZAKONSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-1-(cyclopropylmethyl)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:130234) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41783 | LINCS |