input word = C00025967

Metabolite InformationStructural formula
Name NPTX 10
Nephilatoxin 10
Formula C32H53N11O5
Mw 671.42311388
CAS RN 119613-53-5
C_ID C00025967 ,
InChIKey GZEZMEQLCPEHPW-LIIQWTDENA-N
InChICode InChI=1S/C32H53N11O5/c33-24(10-8-17-41-32(35)36)30(47)39-16-7-6-13-37-18-12-28(45)38-14-4-1-5-15-40-31(48)26(20-27(34)44)43-29(46)19-22-21-42-25-11-3-2-9-23(22)25/h2-3,9,11,21,24,26,37,42H,1,4-8,10,12-20,33H2,(H2,34,44)(H,38,45)(H,39,47)(H,40,48)(H,43,46)(H4,35,36,41)/t24-,26+/m1/s1
SMILES c1(CC(=O)N[C@@H](CC(=O)N)C(=O)NCCCCCNC(=O)CCNCCCCNC(=O)[C@@H](CCCNC(=N)N)N)c[nH]c2c1cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaNephilidaeNephila clavata Ref.
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