CHEBI:180130 - Erucin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Erucin
ChEBI ID CHEBI:180130
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H11NS2
Net Charge 0
Average Mass 161.280
Monoisotopic Mass 161.03329
InChI InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3
InChIKey IHQDGXUYTSZGOG-UHFFFAOYSA-N
SMILES S(CCCCN=C=S)C
ChEBI Ontology
Outgoing Erucin (CHEBI:180130) is a isothiocyanate (CHEBI:52221)
IUPAC Name
1-isothiocyanato-4-methylsulanylbutane
Synonym Source
4-methylsulfanylbutyl isothionate UniProt
Manual Xrefs Databases
70536 ChemSpider
HMDB0033764 HMDB
View more database links
Registry Number Type Source
4430-36-8 CAS Registry Number ChemIDplus
Last Modified
02 November 2021