| Name |
Thiocillin III |
| Formula |
C49H51N13O9S6 |
| Mw |
1157.2256947 |
| CAS RN |
59979-03-2 |
| C_ID |
C00018084
, 
|
| InChIKey |
XNGPWJFNCGGKBM-ZZULHHKVNA-N |
| InChICode |
InChI=1S/C49H51N13O9S6/c1-9-25(38(65)50-13-21(5)63)52-39(66)29-16-74-47(57-29)33-19-75-46(59-33)27-12-11-24-37(51-27)28-14-76-49(54-28)36(23(7)71-8)62-42(69)32-18-77-48(58-32)34(20(3)4)60-40(67)31-17-73-45(56-31)26(10-2)53-43(70)35(22(6)64)61-41(68)30-15-72-44(24)55-30/h9-12,14-23,34-36,63-64H,13H2,1-8H3,(H,50,65)(H,52,66)(H,53,70)(H,60,67)(H,61,68)(H,62,69)/b25-9+,26-10+/t21-,22-,23+,34+,35-,36+/m1/s1 |
| SMILES |
O=C1c2nc(/C(=C\C)/NC(=O)[C@H](NC(=O)c3csc(n3)c3c(c4nc([C@@H](NC(=O)c5nc([C@@H](N1)C(C)C)sc5)[C@@H](OC)C)sc4)nc(cc3)c1nc(cs1)c1scc(n1)C(=O)N/C(=C/C)/C(=O)NC[C@H](O)C)[C@H](O)C)sc2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Bacillaceae | Bacillus badius AR-91 | Ref. |
|
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