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

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 8-Hydroxy-1,16-hexadecanediyl bis(thiocyanate)
ChEBI ID CHEBI:188576
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H32N2OS2
Net Charge 0
Average Mass 356.590
Monoisotopic Mass 356.19561
InChI InChI=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
InChIKey VATLQZFVRAMNQM-UHFFFAOYSA-N
SMILES S(CCCCCCCC(O)CCCCCCCCSC#N)C#N
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing 8-Hydroxy-1,16-hexadecanediyl bis(thiocyanate) (CHEBI:188576) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(8-hydroxy-16-thiocyanatohexadecyl) thiocyanate
Manual Xref Database
9296976 ChemSpider
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