input word = C00054984

Metabolite InformationStructural formula
Name Cyclolinopeptide K
Formula C56H83N9O11S
Mw 1089.59327529
CAS RN 618432-62-5
C_ID C00054984
InChIKey VZWIJITWPQYVRN-NGFONASMSA-N
InChICode InChI=1S/C56H83N9O11S/c1-10-35(7)46-54(72)57-39(26-29-77(9,75)76)48(66)58-40(30-33(3)4)50(68)63-47(36(8)11-2)56(74)65-28-19-25-44(65)55(73)64-27-18-24-43(64)52(70)60-41(31-37-20-14-12-15-21-37)49(67)59-42(32-38-22-16-13-17-23-38)51(69)61-45(34(5)6)53(71)62-46/h12-17,20-23,33-36,39-47H,10-11,18-19,24-32H2,1-9H3,(H,57,72)(H,58,66)(H,59,67)(H,60,70)(H,61,69)(H,62,71)(H,63,68)/t35-,36-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
SMILES O=C([C@@]1([H])N(C([C@@]([C@H](CC)C)([H])NC([C@H](CC(C)C)N2)=O)=O)CCC1)N3[C@](CCC3)([H])C(N[C@@H](CC4=CC=CC=C4)C(N[C@@H](CC5=CC=CC=C5)C(N[C@@H](C(C)C)C(N[C@@]([H])([C@@H](C)CC)C(N[C@@H](CCS(C)(=O)=O)C2=O)=O)=O)=O)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLinaceaeLinum usitatissimum Ref.
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