input word = C00025922

Metabolite InformationStructural formula
Name JSTX 3
Joro spider toxin 3
Jorotoxin 3
Neurotoxin 3 (Nephila clavata)
Formula C27H47N7O6
Mw 565.35878228
CAS RN 112163-33-4
C_ID C00025922 ,
InChIKey SJLRBGDPTALRDM-ANBDAQEENA-N
InChICode InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1
SMILES c1c(cc(c(c1)CC(=O)N[C@@H](CC(=O)N)C(=O)NCCCCCNC(=O)CCNCCCCNCCCN)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
AnimaliaNephilidaeNephila clavata Ref.
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OrganismNephila clavata
ReferenceAramaki,Proc.Jpn.Acad.62B,(1986),359