input word = C00039939

Metabolite InformationStructural formula
Name Penasulfate A
Formula C36H69NO11S2
Mw 755.43120351
CAS RN 662164-70-7
C_ID C00039939 ,
InChIKey ZJZNEWLTSZOGAK-OIKPZOJJNA-N
InChICode InChI=1S/C36H69NO11S2/c1-4-5-6-17-24-31(2)25-18-15-16-20-28-34(48-50(43,44)45)33(47-49(40,41)42)27-19-13-11-9-7-8-10-12-14-21-29-35(38)37-30-23-22-26-32(37)36(39)46-3/h31-34H,4-30H2,1-3H3,(H,40,41,42)(H,43,44,45)/t31-,32-,33-,34+/m1/s1
SMILES CCCCCC[C@@H](C)CCCCCC[C@H](OS(=O)(=O)O)[C@@H](CCCCCCCCCCCCC(=O)N1CCCC[C@@H]1C(=O)OC)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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