CHEBI:229386 - isothiocyanato-Cyclohexane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 isothiocyanato-Cyclohexane
ChEBI ID CHEBI:229386
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H11NS
Net Charge 0
Average Mass 141.230
Monoisotopic Mass 141.06122
InChI InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChIKey MZSJGCPBOVTKHR-UHFFFAOYSA-N
SMILES S=C=NC1CCCCC1
Metabolite of Species Details
Oryctolagus cuniculus (NCBI:txid9986) Found in longissimus thoracis (BTO:0001651). See: MetaboLights Study
ChEBI Ontology
Outgoing isothiocyanato-Cyclohexane (CHEBI:229386) is a isothiocyanate (CHEBI:52221)
IUPAC Name
isothiocyanatocyclohexane
Manual Xrefs Databases
13651 ChemSpider
D91097 KEGG DRUG
HMDB0059892 HMDB
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