EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C35H42N4O6 |
| Net Charge | 0 |
| Average Mass | 614.743 |
| Monoisotopic Mass | 614.31044 |
| 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)c(OC)c1 |
| InChI | InChI=1S/C35H42N4O6/c1-22-18-39(23(2)20-40)34(41)33-32(27-13-9-10-14-29(27)38(33)4)26-12-8-7-11-24(26)21-45-31(22)19-37(3)35(42)36-28-16-15-25(43-5)17-30(28)44-6/h7-17,22-23,31,40H,18-21H2,1-6H3,(H,36,42)/t22-,23-,31-/m1/s1 |
| InChIKey | NTGYADANNGAILP-CEFNRUSXSA-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-14510 (CHEBI:103165) is a indolyl carboxylic acid (CHEBI:46867) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14510 | LINCS |