EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C34H40N4O5 |
| Net Charge | 0 |
| Average Mass | 584.717 |
| Monoisotopic Mass | 584.29987 |
| SMILES | COc1ccc(NC(=O)N(C)C[C@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 |
| InChI | InChI=1S/C34H40N4O5/c1-22-18-38(23(2)20-39)33(40)32-31(28-12-8-9-13-29(28)37(32)4)27-11-7-6-10-24(27)21-43-30(22)19-36(3)34(41)35-25-14-16-26(42-5)17-15-25/h6-17,22-23,30,39H,18-21H2,1-5H3,(H,35,41)/t22-,23+,30+/m0/s1 |
| InChIKey | VWHOEYJBVKWJDQ-DDFCPOBKSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-30659 (CHEBI:119210) is a indolyl carboxylic acid (CHEBI:46867) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30659 | LINCS |