input word = C00041470

Metabolite InformationStructural formula
Name Cycloleonuripeptide E
Formula C43H65N9O10
Mw 867.48543936
CAS RN 887236-41-1
C_ID C00041470 ,
InChIKey NPYYAXZHUVOXOW-DMUDOJLONA-N
InChICode InChI=1S/C43H65N9O10/c1-9-23(4)33-41(60)48-32(22(2)3)40(59)45-24(5)35(54)44-25(6)36(55)47-29(21-28-15-11-10-12-16-28)37(56)50-34(27(8)53)43(62)52-20-14-17-30(52)38(57)46-26(7)42(61)51-19-13-18-31(51)39(58)49-33/h10-12,15-16,22-27,29-34,53H,9,13-14,17-21H2,1-8H3,(H,44,54)(H,45,59)(H,46,57)(H,47,55)(H,48,60)(H,49,58)(H,50,56)/t23-,24+,25+,26+,27-,29+,30+,31+,32+,33+,34+/m1/s1
SMILES [C@H]1([C@@H](CC)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N1)CCC3)C)CCC2)[C@@H](C)O)Cc1ccccc1)C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus heterophyllus Ref.
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