input word = C00036987

Metabolite InformationStructural formula
Name Cyclolinopeptide E
(-)-Cyclolinopeptide E
Formula C51H76N8O9S
Mw 976.54559681
CAS RN 222527-67-5
C_ID C00036987 ,
InChIKey RGTCCFZWYJLEEN-IGLSUQDYNA-N
InChICode InChI=1S/C51H76N8O9S/c1-10-31(6)41-48(64)52-36(25-27-69(9)68)44(60)56-43(33(8)12-3)50(66)55-40(30(4)5)47(63)54-38(29-35-22-17-14-18-23-35)51(67)59-26-19-24-39(59)46(62)58-42(32(7)11-2)49(65)53-37(45(61)57-41)28-34-20-15-13-16-21-34/h13-18,20-23,30-33,36-43H,10-12,19,24-29H2,1-9H3,(H,52,64)(H,53,65)(H,54,63)(H,55,66)(H,56,60)(H,57,61)(H,58,62)/t31-,32-,33-,36-,37-,38-,39-,40-,41-,42-,43-,69-/m0/s1
SMILES N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C1=O)[C@H](CC)C)Cc1ccccc1)[C@H](CC)C)CCC2)Cc1ccccc1)C(C)C)[C@H](CC)C)CC[S@@](=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeLinaceaeLinum usitatissimum Ref.
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