input word = C00042388

Metabolite InformationStructural formula
Name Cicadapeptin II
Formula C50H90N10I11
Mw 2226.68414094
CAS RN 845626-81-5
C_ID C00042388 ,
InChIKey XARWTRNVQZILGP-KVKHKJMWNA-N
InChICode InChI=1S/C50H90N10O11/c1-12-14-15-16-17-18-19-20-39(64)59-27-34(62)25-37(59)46(69)60-28-33(61)24-36(60)43(66)55-40(30(5)6)45(68)58-49(8,9)47(70)54-35(21-22-38(52)63)42(65)57-50(10,11)48(71)56-41(31(7)13-2)44(67)53-32(26-51)23-29(3)4/h29-37,40-41,61-62H,12-28,51H2,1-11H3,(H2,52,63)(H,53,67)(H,54,70)(H,55,66)(H,56,71)(H,57,65)(H,58,68)/t31-,32-,33+,34+,35-,36-,37-,40-,41-/m0/s1
SMILES O=C(NC(C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CC(C)C)CN)(C)C)(C)C)[C@H](C(C)C)NC(=O)[C@H]1N(C[C@@H](C1)O)C(=O)[C@H]1N(C[C@@H](C1)O)C(=O)CCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeCordyceps heteropoda Ref.
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