input word = C00039937

Metabolite InformationStructural formula
Name Penarolide sulfate A1
Formula C35H65NO15S3
Mw 835.35163261
CAS RN 329772-08-9
C_ID C00039937 ,
InChIKey OPRKYGFZNYRGSL-XQLHYSDFNA-N
InChICode InChI=1S/C35H65NO15S3/c1-2-3-22-29-23-17-13-9-8-11-15-19-26-32(50-53(42,43)44)34(51-54(45,46)47)31(49-52(39,40)41)25-18-14-10-6-4-5-7-12-16-20-27-33(37)36-28-21-24-30(36)35(38)48-29/h29-32,34H,2-28H2,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)/t29-,30-,31-,32-,34+/m0/s1
SMILES [C@H]1([C@H](CCCCCCCCCCCCC(=O)N2[C@H](C(=O)O[C@H](CCCCCCCCC[C@@H]1OS(=O)(=O)O)CCCC)CCC2)OS(=O)(=O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Penares sp. Ref.
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