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CHEBI:29692 - Thiocillin
| Formula | C49H51N13O8S6 |
| Net Charge | 0 |
| Average Mass | 1142.432 |
| Monoisotopic Mass | 1141.23078 |
| SMILES | C/C=C(\NC(=O)c1csc(-c2csc(-c3ccc4c(n3)-c3csc(n3)[C@H](C(C)C)NC(=O)c3csc(n3)[C@@H](C(C)C)NC(=O)c3csc(n3)/C(=C/C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3csc-4n3)n2)n1)C(=O)NC[C@H](C)O |
| InChI | InChI=1S/C49H51N13O8S6/c1-9-25(38(65)50-13-22(7)63)52-39(66)29-16-73-47(57-29)33-19-74-46(59-33)27-12-11-24-37(51-27)28-14-75-48(54-28)34(20(3)4)60-41(68)32-18-76-49(58-32)35(21(5)6)61-40(67)31-17-72-45(56-31)26(10-2)53-43(70)36(23(8)64)62-42(69)30-15-71-44(24)55-30/h9-12,14-23,34-36,63-64H,13H2,1-8H3,(H,50,65)(H,52,66)(H,53,70)(H,60,68)(H,61,67)(H,62,69)/b25-9-,26-10-/t22-,23+,34-,35+,36-/m0/s1 |
| InChIKey | IXZWXEVFYZMXCG-ZRBNMRFGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thiocillin (CHEBI:29692) is a azamacrocycle (CHEBI:52898) |
| Thiocillin (CHEBI:29692) is a lactam (CHEBI:24995) |
| Synonym | Source |
|---|---|
| Thiocillin | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C12052 | KEGG COMPOUND |