EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H38N2O6 |
| Net Charge | 0 |
| Average Mass | 510.631 |
| Monoisotopic Mass | 510.27299 |
| SMILES | CC(O)[C@]1(O)C[C@H]2C[C@H]3/C=C/C=C/C(=O)NCCC[C@@H]4NC(=O)C(=C(O)/C=C/C=C/C[C@@H]3[C@H]2[C@@H]1C)C4=O |
| InChI | InChI=1S/C29H38N2O6/c1-17-25-20(16-29(17,37)18(2)32)15-19-9-6-7-13-24(34)30-14-8-11-22-27(35)26(28(36)31-22)23(33)12-5-3-4-10-21(19)25/h3-7,9,12-13,17-22,25,32-33,37H,8,10-11,14-16H2,1-2H3,(H,30,34)(H,31,36)/b4-3+,9-6+,12-5+,13-7+,26-23?/t17-,18?,19+,20+,21-,22-,25-,29-/m0/s1 |
| InChIKey | LIKAGFJBFKLURT-OYTURUOESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomycesspecies S10 (ncbitaxon:1476997) | - | PubMed (29792712) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Combamide B (CHEBI:218943) is a monoterpenoid (CHEBI:25409) |
| IUPAC Name |
|---|
| (3E,5E,8S,9S,10S,11S,13R,15S,16E,18E,25S)-2,11-dihydroxy-11-(1-hydroxyethyl)-10-methyl-21,26-diazatetracyclo[23.2.1.08,15.09,13]octacosa-1,3,5,16,18-pentaene-20,27,28-trione |