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CHEBI:177022 - palmitate phytyl ester

ChEBI IDCHEBI:177022
ChEBI Namepalmitate phytyl ester
Stars
DefinitionA fatty acid phytyl ester resulting from the formal condensation of the hydroxy group of phytol with the carboxy group of hexadecanoic acid.
Last Modified10 August 2021
Submitterlaimo
DownloadsMolfile
FormulaC36H70O2
Net Charge0
Average Mass534.954
Monoisotopic Mass534.53758
SMILESCCCCCCCCCCCCCCCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C36H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-29-36(37)38-31-30-35(6)28-22-27-34(5)26-21-25-33(4)24-20-23-32(2)3/h30,32-34H,7-29,31H2,1-6H3/b35-30+/t33-,34-/m1/s1
InChIKeyJDFCEOMVLWWUMP-LDIAVGPLSA-N
Roles Classification
Biological Role:
Arabidopsis thaliana metabolite  Any plant metabolite that is produced by Arabidopsis thaliana.
ChEBI Ontology
Outgoing Relation(s)
palmitate phytyl ester (CHEBI:177022) has role Arabidopsis thaliana metabolite (CHEBI:140602)
palmitate phytyl ester (CHEBI:177022) is a fatty acid phytyl ester (CHEBI:177021)
palmitate phytyl ester (CHEBI:177022) is a hexadecanoate ester (CHEBI:25835)
IUPAC Name 
(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl hexadecanoate
Synonyms  Source
(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl hexadecanoateChEBI
codioesterChEBI
phytyl palmitateChEBI
(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl hexadecanoic acid esterChEBI
hexadecanoate phytyl esterChEBI
phytyl hexadecanoateChEBI
UniProt Name  Source
hexadecanoate phytyl esterUniProt
Manual XrefsDatabases
4941643ChemSpider
Registry NumbersSources
CAS:53950-58-6ChemIDplus
CAS:53950-58-6NIST Chemistry WebBook
Citations