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CHEBI:136809 - 2-hydroxyethyl hexadecanoate

ChEBI IDCHEBI:136809
ChEBI Name2-hydroxyethyl hexadecanoate
Stars
DefinitionA hexadecanoate ester obtained by the formal condensation of carboxy group of hexadecaoic acid with one of the hydroxy groups of ethylene glycol
Last Modified16 April 2018
Submittermwilliams
DownloadsMolfile
FormulaC18H36O3
Net Charge0
Average Mass300.483
Monoisotopic Mass300.26645
SMILESCCCCCCCCCCCCCCCC(=O)OCCO
InChIInChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19/h19H,2-17H2,1H3
InChIKeyBXCRLBBIZJSWNS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- PubMed (27500669)
- MetaboLights (MTBLS312)
Roles Classification
Biological Role:
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyethyl hexadecanoate (CHEBI:136809) has functional parent ethylene glycol (CHEBI:30742)
2-hydroxyethyl hexadecanoate (CHEBI:136809) has role Brassica napus metabolite (CHEBI:140165)
2-hydroxyethyl hexadecanoate (CHEBI:136809) is a hexadecanoate ester (CHEBI:25835)
2-hydroxyethyl hexadecanoate (CHEBI:136809) is a primary alcohol (CHEBI:15734)
IUPAC Name 
2-hydroxyethyl hexadecanoate
Synonyms  Source
1-monopalmitoylethylene glycolMetaCyc
2-hydroxyethyl palmitateChEBI
ethylene glycol monohexadecanoateChEBI
ethylene glycol monopalmitateChemIDplus
Glycol palmitateChemIDplus
Hexadecanoic acid, 2-hydroxyethyl esterChemIDplus
Manual XrefsDatabases
19028ChemSpider
CPD0-1811MetaCyc
Registry NumbersSources
Reaxys:1789719Reaxys
CAS:4219-49-2ChemIDplus
CAS:4219-49-2NIST Chemistry WebBook