CHEBI:59059 - methyl isocyanate

ChEBI IDCHEBI:59059
ChEBI Namemethyl isocyanate
Stars
DefinitionThe isocyanate that is methane modified by a single isocyanato substituent.
Last Modified5 October 2022
Submitterzjosephs
DownloadsMolfile
FormulaC2H3NO
Net Charge0
Average Mass57.052
Monoisotopic Mass57.02146
SMILESCN=C=O
InChIInChI=1S/C2H3NO/c1-3-2-4/h1H3
InChIKeyHAMGRBXTJNITHG-UHFFFAOYSA-N
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
methyl isocyanate (CHEBI:59059) has role allergen (CHEBI:50904)
methyl isocyanate (CHEBI:59059) has role apoptosis inducer (CHEBI:68495)
methyl isocyanate (CHEBI:59059) is a isocyanates (CHEBI:53212)
Incoming Relation(s)
aldicarb (CHEBI:2555) has functional parent methyl isocyanate (CHEBI:59059)
IUPAC Name 
isocyanatomethane
Synonyms  Source
Iso-cyanatomethaneChemIDplus
Isocyanate de methyleChemIDplus
Methyl carbonimideChemIDplus
Methyl isocyanideChemIDplus
MethylcarbylamineChemIDplus
isocyanatomethaneChEBI
UniProt Name  Source
methyl isocyanateUniProt
Manual XrefsDatabases
DB04337DrugBank
Registry NumbersSources
Gmelin:100500Gmelin
Reaxys:605318Reaxys
CAS:624-83-9ChemIDplus
CAS:624-83-9NIST Chemistry WebBook
Citations