input word = C00036986

Metabolite InformationStructural formula
Name Cyclolinopeptide D
(-)-Cyclolinopeptide D
Formula C57H77N9O9S
Mw 1063.55649585
CAS RN 222527-66-4
C_ID C00036986 ,
InChIKey HCFMWOOLTUSNGE-QKHQJFHONA-N
InChICode InChI=1S/C57H77N9O9S/c1-8-34(4)47-55(72)59-42(27-29-76(7)75)50(67)63-48(35(5)9-2)56(73)65-49(36(6)10-3)57(74)66-28-19-26-46(66)54(71)62-44(31-38-22-15-12-16-23-38)52(69)60-43(30-37-20-13-11-14-21-37)51(68)61-45(53(70)64-47)32-39-33-58-41-25-18-17-24-40(39)41/h11-18,20-25,33-36,42-49,58H,8-10,19,26-32H2,1-7H3,(H,59,72)(H,60,69)(H,61,68)(H,62,71)(H,63,67)(H,64,70)(H,65,73)/t34-,35+,36-,42-,43-,44-,45+,46-,47-,48-,49-,76-/m0/s1
SMILES CCC(C)[C@@H]1NC(=O)[C@H](CCS(C)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)CC)NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeLinaceaeLinum usitatissimum Ref.
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