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CHEBI:180130 - Erucin

ChEBI IDCHEBI:180130
ChEBI NameErucin
Stars
Last Modified2 November 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H11NS2
Net Charge0
Average Mass161.295
Monoisotopic Mass161.03329
SMILESCSCCCCN=C=S
InChIInChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3
InChIKeyIHQDGXUYTSZGOG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Erucin (CHEBI:180130) is a isothiocyanate (CHEBI:52221)
IUPAC Name 
1-isothiocyanato-4-methylsulanylbutane
UniProt Name  Source
4-methylsulfanylbutyl isothionateUniProt
Manual XrefsDatabases
70536ChemSpider
HMDB0033764HMDB
Registry NumbersSources
CAS:4430-36-8ChemIDplus