CHEBI:75608 - 2-palmitoyloxypalmityl palmitate

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ChEBI Name 2-palmitoyloxypalmityl palmitate
ChEBI ID CHEBI:75608
Definition A wax ester resulting from the formal condensation of both the hydroxy groups of hexadecane-1,2-diol with two molecules of palmitic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C48H94O4
Net Charge 0
Average Mass 735.25760
Monoisotopic Mass 734.71521
InChI InChI=1S/C48H94O4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-47(49)51-45-46(42-39-36-33-30-27-24-21-18-15-12-9-6-3)52-48(50)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
InChIKey JBXHTKYUTHLVLY-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
ChEBI Ontology
Outgoing 2-palmitoyloxypalmityl palmitate (CHEBI:75608) has functional parent 1,2-hexadecanediol (CHEBI:75586)
2-palmitoyloxypalmityl palmitate (CHEBI:75608) has functional parent hexadecanoic acid (CHEBI:15756)
2-palmitoyloxypalmityl palmitate (CHEBI:75608) is a hexadecanoate ester (CHEBI:25835)
2-palmitoyloxypalmityl palmitate (CHEBI:75608) is a wax ester (CHEBI:10036)
IUPAC Name
hexadecane-1,2-diyl dihexadecanoate
Synonyms Sources
1,2-O,O-dihexadecanoyl-1,2-hexadecanediol UniProt
2-hexadecanoyloxyhexadecyl hexadecanoate SUBMITTER
Registry Number Type Source
2317354 Reaxys Registry Number Reaxys
Last Modified
12 September 2013