input word = C00007853

Metabolite InformationStructural formula
Name n-Pentyl glucosinolate
Formula C12H23NO9S2
Mw 389.0814228
CAS RN 127929-24-2
C_ID C00007853 ,
InChIKey HWFSIYKVSPYQJX-MNAOBRDNNA-N
InChICode InChI=1S/C12H23NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/b13-8-/t7-,9-,10-,11+,12+/m0/s1
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1CO)S/C(=N\OS(=O)(=O)O)/CCCCC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeRaphanus sativus Ref.
zoom in