EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C46H54N8O12S2 |
| Net Charge | 0 |
| Average Mass | 975.116 |
| Monoisotopic Mass | 974.33026 |
| SMILES | CC(C)(COC(=O)c1cccnc1)[C@@H](OC(=O)c1cccnc1)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](OC(=O)c1cccnc1)C(C)(C)COC(=O)c1cccnc1 |
| InChI | InChI=1S/C46H54N8O12S2/c1-45(2,29-63-41(59)31-9-5-15-47-25-31)37(65-43(61)33-11-7-17-49-27-33)39(57)53-19-13-35(55)51-21-23-67-68-24-22-52-36(56)14-20-54-40(58)38(66-44(62)34-12-8-18-50-28-34)46(3,4)30-64-42(60)32-10-6-16-48-26-32/h5-12,15-18,25-28,37-38H,13-14,19-24,29-30H2,1-4H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58)/t37-,38-/m0/s1 |
| InChIKey | MEFAKOINNJLWFO-UWXQCODUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| derpanicate (CHEBI:750817) has functional parent tetracarboxylic acid (CHEBI:35742) |
| derpanicate (CHEBI:750817) is a organooxygen compound (CHEBI:36963) |
| INNs | Source |
|---|---|
| derpanicate | WHO MedNet |
| derpanicato | WHO MedNet |