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CHEBI:195244 - 1,16-hexadecanediol

Default Structure
ChEBI IDCHEBI:195244
ChEBI Name1,16-hexadecanediol
Stars
DefinitionA diol that is hexadecane substituted by hydroxy groups at positions 1 and 16.
Last Modified26 May 2023
SubmitterAnne Morgat
DownloadsMolfile
FormulaC16H34O2
Net Charge0
Average Mass258.446
Monoisotopic Mass258.25588
SMILESOCCCCCCCCCCCCCCCCO
InChIInChI=1S/C16H34O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2
InChIKeyGJBXIPOYHVMPQJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Solanum lycopersicum (ncbitaxon:4081) fruit (BTO:0000486) PubMed (16659689)
Solanum tuberosum (ncbitaxon:4113) - PubMed (16659939)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
1,16-hexadecanediol (CHEBI:195244) has parent hydride hexadecane (CHEBI:45296)
1,16-hexadecanediol (CHEBI:195244) has role plant metabolite (CHEBI:76924)
1,16-hexadecanediol (CHEBI:195244) is a diol (CHEBI:23824)
1,16-hexadecanediol (CHEBI:195244) is a long-chain primary fatty alcohol (CHEBI:77396)
IUPAC Name 
hexadecane-1,16-diol
Synonyms  Source
1,16-dihydroxyhexadecaneChEBI
hexadecamethylene glycolChEBI
hexadecan-1,16-diolSUBMITTER
α,ω-hexadecanediolChEBI
UniProt Name  Source
hexadecane-1,16-diolUniProt
Registry NumbersSources
Reaxys:1811931Reaxys
CAS:7735-42-4NIST Chemistry WebBook
Citations