input word = C00025921

Metabolite InformationStructural formula
Name JSTX 2
Joro spider toxin 2
Jorotoxin 2
Formula C36H64N10O8
Mw 764.49085909
CAS RN 133658-52-3
C_ID C00025921 ,
InChIKey HCLBXEQNUWFIKS-UHFFFAOYNA-N
InChICode InChI=1S/C36H64N10O8/c37-14-2-5-16-40-21-12-33(51)43-19-7-6-17-41-22-13-32(50)42-18-3-1-4-20-44-35(53)29(25-31(39)49)46-36(54)28(9-8-15-38)45-34(52)23-26-10-11-27(47)24-30(26)48/h10-11,24,28-29,40-41,47-48H,1-9,12-23,25,37-38H2,(H2,39,49)(H,42,50)(H,43,51)(H,44,53)(H,45,52)(H,46,54)/t28-,29-/m0/s1
SMILES c1(cc(c(cc1)CC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCCCCCNC(=O)CCNCCCCNC(=O)CCNCCCCN)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
AnimaliaNephilidaeNephila clavata Ref.
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OrganismNephila clavata
ReferenceToki,Jpn.J.Sanit.Zool.(Eisei Dobutsu),11,(1990),9