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CHEBI:177026 - myristate phytyl ester

ChEBI IDCHEBI:177026
ChEBI Namemyristate phytyl ester
Stars
DefinitionA fatty acid phytyl ester resulting from the formal condensation of the hydroxy group of phytol with the carboxy group of tetradecanoic acid.
Last Modified10 August 2021
Submitterlaimo
DownloadsMolfile
FormulaC34H66O2
Net Charge0
Average Mass506.900
Monoisotopic Mass506.50628
SMILESCCCCCCCCCCCCCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C34H66O2/c1-7-8-9-10-11-12-13-14-15-16-17-27-34(35)36-29-28-33(6)26-20-25-32(5)24-19-23-31(4)22-18-21-30(2)3/h28,30-32H,7-27,29H2,1-6H3/b33-28+/t31-,32-/m1/s1
InChIKeyQYGFRANKWSAZOD-NTGYCHQQSA-N
Species of MetaboliteComponentSourceComments
Isodon coetsa (ncbitaxon:204131) leaf (BTO:0000713) Article (Jianzhong, W. and Fengpeng, W. (1998) Chemical study of Rabdosia coetsa. Natural Product Research and Development, 10(3), 15-20.) Species also known as Rabdosia coetsa.
Roles Classification
Biological Role:
Arabidopsis thaliana metabolite  Any plant metabolite that is produced by Arabidopsis thaliana.
ChEBI Ontology
Outgoing Relation(s)
myristate phytyl ester (CHEBI:177026) has role Arabidopsis thaliana metabolite (CHEBI:140602)
myristate phytyl ester (CHEBI:177026) is a fatty acid phytyl ester (CHEBI:177021)
myristate phytyl ester (CHEBI:177026) is a tetradecanoate ester (CHEBI:87691)
IUPAC Name 
(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl tetradecanoate
Synonyms  Source
phytyl myristateChemIDplus
phytyl tetradecanoateChemIDplus
tetradecanoate phytyl esterChEBI
(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl tetradecanoateChEBI
(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl tetradecanoic acid esterChEBI
UniProt Name  Source
tetradecanoate phytyl esterUniProt
Manual XrefsDatabases
57451830ChemSpider
Registry NumbersSources
CAS:62172-52-5ChemIDplus
Citations