input word = C00027048

Metabolite InformationStructural formula
Name Cyclolinopeptide I
Formula C55H73N9O9S2
Mw 1067.49726646
CAS RN 351417-18-0
C_ID C00027048 ,
InChIKey ONNCOKAPXBQCMA-OYQCUZCINA-N
InChICode InChI=1S/C55H73N9O9S2/c1-7-34(4)47-54(71)58-41(25-28-75(6)73)55(72)64-26-16-23-45(64)52(69)61-43(30-36-19-12-9-13-20-36)50(67)59-42(29-35-17-10-8-11-18-35)49(66)60-44(31-37-32-56-39-22-15-14-21-38(37)39)51(68)62-46(33(2)3)53(70)57-40(24-27-74-5)48(65)63-47/h8-15,17-22,32-34,40-47,56H,7,16,23-31H2,1-6H3,(H,57,70)(H,58,71)(H,59,67)(H,60,66)(H,61,69)(H,62,68)(H,63,65)/t34-,40+,41+,42+,43+,44+,45+,46+,47+,75-/m1/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(C)C)CCSC)[C@@H](CC)C)CC[S@](=O)C)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeLinaceaeLinum usitatissimum Ref.
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