input word = C00040038

Metabolite InformationStructural formula
Name Planktocyclin
Formula C39H60N8O8S
Mw 800.42548168
CAS RN 957128-73-3
C_ID C00040038 ,
InChIKey ZMRRRONVXWEVSB-NPOXWIDXNA-N
InChICode InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29-,32-,33-/m0/s1
SMILES N1[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C1=O)C(C)C)CC(C)C)CCC2)C(C)C)Cc1ccccc1)CCSC
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaPhormidiaceaePlanktothrix rubescens Ref.
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OrganismPlanktothrix rubescens
ReferenceBaumann,J.Nat.Prod.,70,(2007),1611