EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C33H52N8O8S2 |
| Net Charge | 0 |
| Average Mass | 752.961 |
| Monoisotopic Mass | 752.33495 |
| SMILES | CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=S)Nc1ccc(N=C=S)cc1 |
| InChI | InChI=1S/C33H52N8O8S2/c1-26(42)39(47)22-8-2-5-19-34-29(43)15-17-31(45)40(48)23-9-3-6-20-35-30(44)16-18-32(46)41(49)24-10-4-7-21-36-33(51)38-28-13-11-27(12-14-28)37-25-50/h11-14,47-49H,2-10,15-24H2,1H3,(H,34,43)(H,35,44)(H2,36,38,51) |
| InChIKey | HBAYEVATSBINBX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| berdoxam (CHEBI:758975) is a thioureas (CHEBI:51276) |
| Synonyms | Source |
|---|---|
| Berdoxam | ChEMBL |
| P-scn-bn-deferoxamine | ChEMBL |