input word = C00052675

Metabolite InformationStructural formula
Name 1-Butene-4-isothiocyanate
3-Butenyl isothiocyanate
Formula C5H7NS
Mw 113.02991996
CAS RN 3386-97-8
C_ID C00052675
InChIKey DBISBKDNOKIADM-UHFFFAOYSA-N
InChICode InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2
SMILES C=CCCCN=C=S
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica napus Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeCruciferaeRaphanus sativus Ref.
zoom in



OrganismRaphanus sativus
ReferenceManivannan, A. et al., Nutrients, 11, (2019), 402