EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H42N4O4 |
| Net Charge | 0 |
| Average Mass | 546.712 |
| Monoisotopic Mass | 546.32061 |
| SMILES | C[C@@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)[C@@H]1CCCN1C |
| InChI | InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22+,27+,28+/m1/s1 |
| InChIKey | QNPXTRYBNJAKIP-HDYVOGQZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-8512 (CHEBI:97133) is a proline derivative (CHEBI:26273) |
| Manual Xrefs | Databases |
|---|---|
| LSM-8512 | LINCS |