| 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 |
c12c3cccc1COC(=O)[C@@H]([C@@H]1OCc2c([nH]3)C(=O)SC[C@@H]2NC(=O)c3nc([C@H]1NC(=O)c1csc(n1)/C(=C(\OC)/C)/NC(=O)[C@@H](NC(=O)c1nc(c4c(c5nc2sc5)nc(c(c4)O)c2scc(n2)C(=O)N)sc1)[C@@H](C)O)sc3)O[C@H]1C[C@@]([C@@H]([C@@H](O1)C)N(C)C)(C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Sebekia sp. LL-14E605 (NRRL 21083) | Ref. |
|
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