input word = C00044841

Metabolite InformationStructural formula
Name Kahalalide E
Formula C45H69N7O8
Mw 835.52076223
CAS RN 180714-98-1
C_ID C00044841 ,
InChIKey NNBDGOASYKFATB-JUBNVLGLNA-N
InChICode InChI=1S/C45H69N7O8/c1-26(2)15-10-9-11-16-32-24-39(53)47-29(7)40(54)48-30(8)41(55)50-36(22-28(5)6)44(58)52-20-14-19-38(52)43(57)49-35(21-27(3)4)42(56)51-37(45(59)60-32)23-31-25-46-34-18-13-12-17-33(31)34/h12-13,17-18,25-30,32,35-38,46H,9-11,14-16,19-24H2,1-8H3,(H,47,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)/t29-,30-,32+,35+,36+,37+,38+/m1/s1
SMILES C1C(=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)N[C@H](C(=O)O[C@H]1CCCCCC(C)C)Cc1c[nH]c3c1cccc3)CC(C)C)CCC2)CC(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate L-Lys
Organism
Kingdom Family Species Reference
AnimaliaPlacobranchidaeElysia rufescens Ref.
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