input word = C00016399

Metabolite InformationStructural formula
Name Malonylniphimycin
Formula C62H105N3O21
Mw 1227.72405744
CAS RN 200498-88-0
C_ID C00016399 ,
InChIKey XZXMNJUMFYDZBE-GCLDGCTINA-N
InChICode InChI=1S/C62H105N3O21/c1-35(18-14-12-10-11-13-17-25-65-61(63)64-9)26-39(5)58-38(4)19-15-16-20-46(67)40(6)50(71)28-43(66)27-44(83-56(78)32-54(74)75)29-45-30-53(84-57(79)33-55(76)77)59(80)62(82,86-45)34-52(73)37(3)22-23-47(68)41(7)51(72)31-49(70)36(2)21-24-48(69)42(8)60(81)85-58/h10-11,15-16,19-21,24,35-53,58-59,66-73,80,82H,12-14,17-18,22-23,25-34H2,1-9H3,(H,74,75)(H,76,77)(H3,63,64,65)/b11-10+,19-15+,20-16+,24-21+/t35-,36+,37+,38-,39-,40-,41-,42-,43+,44+,45-,46-,47-,48-,49-,50-,51+,52+,53+,58+,59+,62+/m1/s1
SMILES C[C@@H]1[C@@H](C[C@@H]([C@@H]([C@@H](CC[C@H](C)[C@@H](O)C[C@@]2(O[C@@H](C[C@@H]([C@@H]2O)OC(=O)CC(=O)O)C[C@H](C[C@H](O)C[C@H]([C@@H]([C@@H](/C=C/C=C/[C@H]([C@@H]([C@@H](C[C@@H](CCC/C=C/CCCNC(=N)NC)C)C)OC(=O)[C@H](C)[C@@H](/C=C/1)O)C)O)C)O)OC(=O)CC(=O)O)O)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus B-7 Ref.
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