CHEBI:177022 - palmitate phytyl ester

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ChEBI Name palmitate phytyl ester
ChEBI ID CHEBI:177022
Definition A fatty acid phytyl ester resulting from the formal condensation of the hydroxy group of phytol with the carboxy group of hexadecanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information
Download Molfile XML SDF
Formula C36H70O2
Net Charge 0
Average Mass 534.954
Monoisotopic Mass 534.53758
InChI InChI=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
InChIKey JDFCEOMVLWWUMP-LDIAVGPLSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
Roles Classification
Biological Role(s): Arabidopsis thaliana metabolite
Any plant metabolite that is produced by Arabidopsis thaliana.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl hexadecanoate ChEBI
(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl hexadecanoic acid ester ChEBI
codioester ChEBI
hexadecanoate phytyl ester UniProt
hexadecanoate phytyl ester ChEBI
phytyl hexadecanoate ChEBI
phytyl palmitate ChEBI
Manual Xref Database
4941643 ChemSpider
View more database links
Registry Numbers Types Sources
53950-58-6 CAS Registry Number NIST Chemistry WebBook
53950-58-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22623494 PubMed citation SUBMITTER
33149803 PubMed citation Europe PMC
Last Modified
10 August 2021