input word = C00017914

Metabolite InformationStructural formula
Name Katanosin A
Formula C57H95N15O17
Mw 1261.70303672
CAS RN 116103-86-7
C_ID C00017914 ,
InChIKey SHQGVBSYOMBSEU-MLDTUQCMNA-N
InChICode InChI=1S/C57H95N15O17/c1-25(2)20-32(58)47(79)65-35(22-27(5)6)50(82)72-42-45(31-16-13-12-14-17-31)89-56(88)36(24-73)67-54(86)41(44(77)46(59)78)68-37(75)23-63-51(83)39(30(11)74)70-52(84)38(28(7)8)69-48(80)33(18-15-19-62-57(60)61)64-49(81)34(21-26(3)4)66-53(85)40(71-55(42)87)43(76)29(9)10/h12-14,16-17,25-30,32-36,38-45,73-74,76-77H,15,18-24,58H2,1-11H3,(H2,59,78)(H,63,83)(H,64,81)(H,65,79)(H,66,85)(H,67,86)(H,68,75)(H,69,80)(H,70,84)(H,71,87)(H,72,82)(H4,60,61,62)/t30-,32+,33+,34-,35-,36-,38-,39-,40-,41-,42-,43+,44-,45+/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(C)C)[C@H](C)O)[C@@H](C(=O)N)O)CO)c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](N)CC(C)C)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.
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