| Name |
Thiocillin I |
| Formula |
C48H49N13O10S6 |
| Mw |
1159.20495926 |
| CAS RN |
59979-01-0 |
| C_ID |
C00018082
, 
|
| InChIKey |
FEORQDDAQBRWPT-NBBXXHIDNA-N |
| InChICode |
InChI=1S/C48H49N13O10S6/c1-8-23(36(65)49-12-19(3)62)51-37(66)27-15-74-45(56-27)31-18-75-44(58-31)25-11-10-22-34(50-25)26-13-76-46(53-26)33(21(5)64)60-39(68)29-17-77-47(57-29)35(48(6,7)71)61-40(69)30-16-73-43(55-30)24(9-2)52-41(70)32(20(4)63)59-38(67)28-14-72-42(22)54-28/h8-11,13-21,32-33,35,62-64,71H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b23-8+,24-9+/t19-,20+,21-,32-,33+,35-/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)O)sc5)[C@H](O)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 cereus G-15 | Ref. |
|
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