input word = C00036983

Metabolite InformationStructural formula
Name Cyclolinopeptide A
Formula C57H85N9O9
Mw 1039.64702538
CAS RN 33302-55-5
C_ID C00036983 ,
InChIKey VKDHLDRNPSEBFR-CTPCDXANNA-N
InChICode InChI=1S/C57H85N9O9/c1-11-34(7)45-53(71)63-47(36(9)13-3)55(73)64-48(37(10)14-4)54(72)62-46(35(8)12-2)52(70)60-44(33(5)6)57(75)66-30-22-28-43(66)56(74)65-29-21-27-42(65)51(69)59-40(31-38-23-17-15-18-24-38)49(67)58-41(50(68)61-45)32-39-25-19-16-20-26-39/h15-20,23-26,33-37,40-48H,11-14,21-22,27-32H2,1-10H3,(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H,62,72)(H,63,71)(H,64,73)/t34-,35+,36-,37-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
SMILES N12[C@H](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)N[C@H](C(=O)N[C@H](C(=O)N3[C@H](C1=O)CCC3)C(C)C)[C@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)Cc1ccccc1)Cc1ccccc1)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeLinaceaeLinum usitatissimum Ref.
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OrganismLinum usitatissimum
ReferenceMatsumoto,Phytochem.,57,(2001),251