| Name |
Glycothiohexide alpha
LL 14E605beta |
| Formula |
C58H57N13O15S6 |
| Mw |
1367.24213263 |
| CAS RN |
158446-31-2 |
| C_ID |
C00016659
, 
|
| InChIKey |
SQNIUXZFYJCFRU-NNLKUIAGNA-N |
| InChICode |
InChI=1S/C58H57N13O15S6/c1-21(72)37-50(78)69-38(22(2)82-7)53-65-32(19-90-53)49(77)70-42-43-44(86-35-12-58(4,81)45(71(5)6)23(3)85-35)56(79)84-13-24-9-8-10-27-36(24)26(14-83-43)40(60-27)57(80)92-20-33(61-47(75)30-18-91-55(42)66-30)52-62-28(15-88-52)39-25(51-64-31(17-87-51)48(76)68-37)11-34(73)41(67-39)54-63-29(16-89-54)46(59)74/h8-11,15-19,21,23,33,35,37,42-45,60,72-73,81H,12-14,20H2,1-7H3,(H2,59,74)(H,61,75)(H,68,76)(H,69,78)(H,70,77)/b38-22+/t21-,23+,33+,35+,37+,42+,43-,44-,45-,58-/m1/s1 |
| SMILES |
CO/C(C)=C1/NC(=O)C(C(C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(N)=O)cs3)nc2-c2csc(n2)C2CSC(=O)c3[nH]c4cccc5c4c3COC(C(OC3CC(C)(O)C(N(C)C)C(C)O3)C(=O)OC5)C(NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Sebekia sp. LL-14E605 (NRRL 21083) | Ref. |
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