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CHEBI:188576 - 8-Hydroxy-1,16-hexadecanediyl bis(thiocyanate)

ChEBI IDCHEBI:188576
ChEBI Name8-Hydroxy-1,16-hexadecanediyl bis(thiocyanate)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32N2OS2
Net Charge0
Average Mass356.601
Monoisotopic Mass356.19561
SMILESN#CSCCCCCCCCC(O)CCCCCCCSC#N
InChIInChI=1S/C18H32N2OS2/c19-16-22-14-10-6-2-1-4-8-12-18(21)13-9-5-3-7-11-15-23-17-20/h18,21H,1-15H2
InChIKeyVATLQZFVRAMNQM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
8-Hydroxy-1,16-hexadecanediyl bis(thiocyanate) (CHEBI:188576) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(8-hydroxy-16-thiocyanatohexadecyl) thiocyanate
Manual XrefsDatabases
9296976ChemSpider