input word = C00017635

Metabolite InformationStructural formula
Name Lysobactin
Formula C58H97N15O17
Mw 1275.71868678
CAS RN 118374-47-3
C_ID C00017635 ,
InChIKey KQMKBWMQSNKASI-ITQZQWQENA-N
InChICode InChI=1S/C58H97N15O17/c1-12-30(10)39-53(85)71-40(31(11)75)52(84)64-24-38(76)69-42(45(78)47(60)79)55(87)68-37(25-74)57(89)90-46(32-17-14-13-15-18-32)43(73-51(83)36(23-28(6)7)66-48(80)33(59)21-26(2)3)56(88)72-41(44(77)29(8)9)54(86)67-35(22-27(4)5)50(82)65-34(49(81)70-39)19-16-20-63-58(61)62/h13-15,17-18,26-31,33-37,39-46,74-75,77-78H,12,16,19-25,59H2,1-11H3,(H2,60,79)(H,64,84)(H,65,82)(H,66,80)(H,67,86)(H,68,87)(H,69,76)(H,70,81)(H,71,85)(H,72,88)(H,73,83)(H4,61,62,63)/t30-,31-,33+,34+,35-,36-,37-,39-,40-,41-,42-,43-,44+,45-,46+/m0/s1
SMILES N1C(=O)[C@H]([C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1[C@@H](C(C)C)O)CC(C)C)CCCNC(=N)N)[C@@H](C)CC)[C@@H](O)C)[C@@H](C(=O)N)O)CO)c1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaBacteroidaceaeCytophaga sp. PBJ-5356 Ref.
BacteriaXanthomonadaceaeLysobacter sp. SC 14067 (ATCC 53042) Ref.
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OrganismCytophaga sp. PBJ-5356
ReferenceShoji,J.Antibiotics,41,(1988),713