input word = C00028844

Metabolite InformationStructural formula
Name Pinnatoxin A
(+)-Pinnatoxin A
Formula C41H61NO9
Mw 711.43463255
CAS RN 160759-36-4
C_ID C00028844 ,
InChIKey ZYFHPTPXLHNGQK-OYQFWCAYNA-N
InChICode InChI=1S/C41H61NO9/c1-24-8-6-10-32-38(20-25(2)27(4)23-42-32)15-11-28(36(44)45)19-31(38)34-35-33(43)26(3)21-40(49-34,50-35)22-30-9-7-13-39(47-30)16-17-41(51-39)37(5,46)14-12-29(18-24)48-41/h19,25-27,29-31,33-35,43,46H,1,6-18,20-23H2,2-5H3,(H,44,45)/t25-,26+,27-,29-,30+,31+,33+,34-,35+,37+,38+,39+,40+,41+/m0/s1
SMILES [C@H]12[C@H]3[C@@H]([C@@H](C[C@](O1)(C[C@H]1CCC[C@@]4(O1)O[C@]1(CC4)[C@@](CC[C@H](O1)CC(=C)CCCC1=NC[C@@H]([C@H](C[C@@]41[C@@H]2C=C(CC4)C(=O)O)C)C)(O)C)O3)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaPinnidaePinna muricata Ref.
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