input word = C00025923

Metabolite InformationStructural formula
Name JSTX 4
Joro spider toxin 4
Jorotoxin 4
Formula C28H48N10O7
Mw 636.37074396
CAS RN 133689-61-9
C_ID C00025923 ,
InChIKey CRZSEQMZZYKNLU-UHFFFAOYNA-N
InChICode InChI=1S/C28H48N10O7/c29-10-4-7-20(38-25(43)19(30)6-5-13-36-28(32)33)26(44)34-11-2-1-3-12-35-27(45)21(16-23(31)41)37-24(42)14-17-8-9-18(39)15-22(17)40/h8-9,15,19-21,39-40H,1-7,10-14,16,29-30H2,(H2,31,41)(H,34,44)(H,35,45)(H,37,42)(H,38,43)(H4,32,33,36)/t19-,20+,21+/m1/s1
SMILES c1(cc(c(cc1)CC(=O)N[C@@H](CC(=O)N)C(=O)NCCCCCNC(=O)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)N)CCCN)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
AnimaliaNephilidaeNephila clavata Ref.
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