CHEBI:195244 - 1,16-hexadecanediol

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ChEBI Name 1,16-hexadecanediol
ChEBI ID CHEBI:195244
Definition A diol that is hexadecane substituted by hydroxy groups at positions 1 and 16.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C16H34O2
Net Charge 0
Average Mass 258.446
Monoisotopic Mass 258.25588
InChI InChI=1S/C16H34O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2
InChIKey GJBXIPOYHVMPQJ-UHFFFAOYSA-N
SMILES OCCCCCCCCCCCCCCCCO
Metabolite of Species Details
Solanum lycopersicum (NCBI:txid4081) Found in fruit (BTO:0000486). See: PubMed
Solanum tuberosum (NCBI:txid4113) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1,16-dihydroxyhexadecane ChEBI
α,ω-hexadecanediol ChEBI
hexadecamethylene glycol ChEBI
hexadecan-1,16-diol SUBMITTER
hexadecane-1,16-diol UniProt
Registry Numbers Types Sources
1811931 Reaxys Registry Number Reaxys
7735-42-4 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
15068093 PubMed citation Europe PMC
16659689 PubMed citation Europe PMC
16659939 PubMed citation Europe PMC
18396913 PubMed citation SUBMITTER
19602150 PubMed citation Europe PMC
21846125 PubMed citation Europe PMC
23902261 PubMed citation Europe PMC
27866329 PubMed citation Europe PMC
Last Modified
26 May 2023