input word = C00027046

Metabolite InformationStructural formula
Name Cyclolinopeptide H
Formula C56H75N9O9S2
Mw 1081.51291652
CAS RN 351417-17-9
C_ID C00027046 ,
InChIKey CNKQYNVYWABVQW-CSWNLFSBNA-N
InChICode InChI=1S/C56H75N9O9S2/c1-7-34(3)47-54(71)58-41(26-29-76(6)74)49(66)63-48(35(4)8-2)55(72)59-42(25-28-75-5)56(73)65-27-17-24-46(65)53(70)62-44(31-37-20-13-10-14-21-37)51(68)60-43(30-36-18-11-9-12-19-36)50(67)61-45(52(69)64-47)32-38-33-57-40-23-16-15-22-39(38)40/h9-16,18-23,33-35,41-48,57H,7-8,17,24-32H2,1-6H3,(H,58,71)(H,59,72)(H,60,68)(H,61,67)(H,62,70)(H,63,66)(H,64,69)/t34-,35+,41-,42-,43-,44-,45-,46-,47-,48-,76-/m0/s1
SMILES N1C(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc1ccccc1)Cc1ccccc1)Cc1c3c([nH]c1)cccc3)[C@@H](C)CC)CC[S@@](=O)C)[C@@H](CC)C)CCSC)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeLinaceaeLinum usitatissimum Ref.
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