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CHEBI:177027 - laurate phytyl ester

ChEBI IDCHEBI:177027
ChEBI Namelaurate phytyl ester
Stars
DefinitionA fatty acid phytyl ester resulting from the formal condensation of the hydroxy group of phytol with the carboxy group of dodecanoic acid.
Last Modified10 August 2021
Submitterlaimo
DownloadsMolfile
FormulaC32H62O2
Net Charge0
Average Mass478.846
Monoisotopic Mass478.47498
SMILESCCCCCCCCCCCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C32H62O2/c1-7-8-9-10-11-12-13-14-15-25-32(33)34-27-26-31(6)24-18-23-30(5)22-17-21-29(4)20-16-19-28(2)3/h26,28-30H,7-25,27H2,1-6H3/b31-26+/t29-,30-/m1/s1
InChIKeyAGWFXWWNJHQGIB-KONNFPMYSA-N
Roles Classification
Biological Role:
Arabidopsis thaliana metabolite  Any plant metabolite that is produced by Arabidopsis thaliana.
ChEBI Ontology
Outgoing Relation(s)
laurate phytyl ester (CHEBI:177027) has role Arabidopsis thaliana metabolite (CHEBI:140602)
laurate phytyl ester (CHEBI:177027) is a dodecanoate ester (CHEBI:87659)
laurate phytyl ester (CHEBI:177027) is a fatty acid phytyl ester (CHEBI:177021)
IUPAC Name 
(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl dodecanoate
Synonyms  Source
dodecanoate phytyl esterChEBI
phytyl dodecanoateChemIDplus
phytyl laurateChemIDplus
(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl dodecanoic acid esterChEBI
(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl dodecanoateChEBI
UniProt Name  Source
dodecanoate phytyl esterUniProt
Manual XrefsDatabases
21248492ChemSpider
Registry NumbersSources
CAS:72996-18-0ChemIDplus
Citations