CHEBI:75586 - 1,2-hexadecanediol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-hexadecanediol
ChEBI ID CHEBI:75586
Definition A glycol that is hexadecane which is substituted by hydroxy groups at positions 1 and 2.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Secondary ChEBI IDs CHEBI:84954
Supplier Information
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Formula C16H34O2
Net Charge 0
Average Mass 258.44000
Monoisotopic Mass 258.25588
InChI InChI=1S/C16H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h16-18H,2-15H2,1H3
InChIKey BTOOAFQCTJZDRC-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCC(O)CO
ChEBI Ontology
Outgoing 1,2-hexadecanediol (CHEBI:75586) has parent hydride hexadecane (CHEBI:45296)
1,2-hexadecanediol (CHEBI:75586) is a glycol (CHEBI:13643)
Incoming 2-hydroxypalmityl palmitate (CHEBI:75587) has functional parent 1,2-hexadecanediol (CHEBI:75586)
2-palmitoyloxypalmityl palmitate (CHEBI:75608) has functional parent 1,2-hexadecanediol (CHEBI:75586)
IUPAC Name
hexadecane-1,2-diol
Synonyms Sources
1,2-hexadecanediol NIST Chemistry WebBook
1,2-hexadecyl diol SUBMITTER
1,2-palmityl diol SUBMITTER
cetyl glycol ChemIDplus
hexadecan-1,2-diol ChEBI
hexadecane-1,2-diol UniProt
Registry Numbers Types Sources
1722206 Reaxys Registry Number Reaxys
6920-24-7 CAS Registry Number ChemIDplus
6920-24-7 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
11553139 PubMed citation Europe PMC
Last Modified
20 February 2015