EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:229386 - isothiocyanato-Cyclohexane

ChEBI IDCHEBI:229386
ChEBI Nameisothiocyanato-Cyclohexane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H11NS
Net Charge0
Average Mass141.239
Monoisotopic Mass141.06122
SMILESS=C=NC1CCCCC1
InChIInChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChIKeyMZSJGCPBOVTKHR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryctolagus cuniculus (ncbitaxon:9986) longissimus thoracis (BTO:0001651) MetaboLights (MTBLS8958)
ChEBI Ontology
Outgoing Relation(s)
isothiocyanato-Cyclohexane (CHEBI:229386) is a isothiocyanate (CHEBI:52221)
IUPAC Name 
isothiocyanatocyclohexane
Manual XrefsDatabases
D91097KEGG DRUG
13651ChemSpider
HMDB0059892HMDB