input word = C00042387

Metabolite InformationStructural formula
Name Cicadapeptin I
Formula C50H90N10O11
Mw 1006.67905379
CAS RN 845626-76-8
C_ID C00042387 ,
InChIKey NVJOHXLMVTYSFU-VTEGOWAZNA-N
InChICode InChI=1S/C50H90N10O11/c1-12-13-14-15-16-17-18-19-40(64)59-27-34(62)25-38(59)46(69)60-28-33(61)24-37(60)44(67)56-41(31(6)7)45(68)58-50(10,11)47(70)54-35(20-21-39(52)63)43(66)57-49(8,9)48(71)55-36(23-30(4)5)42(65)53-32(26-51)22-29(2)3/h29-38,41,61-62H,12-28,51H2,1-11H3,(H2,52,63)(H,53,65)(H,54,70)(H,55,71)(H,56,67)(H,57,66)(H,58,68)/t32-,33+,34+,35-,36-,37-,38-,41-/m0/s1
SMILES O=C(NC(C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C(=O)N[C@@H](CC(C)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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