input word = C00018029

Metabolite InformationStructural formula
Name Antibiotic TL 119
Formula C42H57N7O9
Mw 803.42177647
CAS RN 55599-68-3
C_ID C00018029 ,
InChIKey SGGJJTTZBRPIKP-OOEWDAAONA-N
InChICode InChI=1S/C42H57N7O9/c1-9-30-42(57)58-26(7)35(41(56)48-34(24(4)5)40(55)43-25(6)36(51)45-30)49-39(54)33(22-29-18-14-11-15-19-29)47-37(52)31(20-23(2)3)46-38(53)32(44-27(8)50)21-28-16-12-10-13-17-28/h9-19,23-26,31-35H,20-22H2,1-8H3,(H,43,55)(H,44,50)(H,45,51)(H,46,53)(H,47,52)(H,48,56)(H,49,54)/b30-9+/t25-,26+,31+,32-,33-,34+,35+/m0/s1
SMILES C1(=O)N[C@@H](C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)O[C@@H]([C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C)Cc1ccccc1)CC(C)C)C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus sp. TL-119 Ref.
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