EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C33H42N2O2 |
| Net Charge | 0 |
| Average Mass | 498.711 |
| Monoisotopic Mass | 498.32463 |
| SMILES | CC1=C/C=C/C=C/C=C\C=C/[C@H](C)CNC(=O)/C(C)=C/C=C/C=C/C=C\C=C/[C@H](C)CNC(=O)C(C)=C1 |
| InChI | InChI=1S/C33H42N2O2/c1-27-20-16-12-8-6-9-13-17-21-28(2)25-34-32(36)30(4)23-19-15-11-7-10-14-18-22-29(3)26-35-33(37)31(5)24-27/h6-24,28-29H,25-26H2,1-5H3,(H,34,36)(H,35,37)/b8-6+,11-7+,13-9-,14-10-,16-12+,19-15+,21-17-,22-18-,27-20?,30-23+,31-24?/t28-,29-/m0/s1 |
| InChIKey | PKDOHWFBCZCSLM-LIEMXMPGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nocardiopsis (ncbitaxon:2013) | - | PubMed (31021629) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Kenalactam D (CHEBI:223868) is a carboximidic acid (CHEBI:48378) |
| IUPAC Name |
|---|
| (3E,5E,7E,9Z,11Z,13S,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione |