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CHEBI:177028 - caprate phytyl ester

ChEBI IDCHEBI:177028
ChEBI Namecaprate phytyl ester
Stars
DefinitionA fatty acid phytyl ester resulting from the formal condensation of the hydroxy group of phytol with the carboxy group of decanoic acid.
Last Modified10 August 2021
Submitterlaimo
DownloadsMolfile
FormulaC30H58O2
Net Charge0
Average Mass450.792
Monoisotopic Mass450.44368
SMILESCCCCCCCCCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C30H58O2/c1-7-8-9-10-11-12-13-23-30(31)32-25-24-29(6)22-16-21-28(5)20-15-19-27(4)18-14-17-26(2)3/h24,26-28H,7-23,25H2,1-6H3/b29-24+/t27-,28-/m1/s1
InChIKeyVQNBYXCYEWSWMZ-JNXGHUNNSA-N
Species of MetaboliteComponentSourceComments
Centaurea scabiosa (ncbitaxon:145517) flower (BTO:0000469) PubMed (34201790)
Roles Classification
Biological Role:
Arabidopsis thaliana metabolite  Any plant metabolite that is produced by Arabidopsis thaliana.
ChEBI Ontology
Outgoing Relation(s)
caprate phytyl ester (CHEBI:177028) has functional parent decanoic acid (CHEBI:30813)
caprate phytyl ester (CHEBI:177028) has role Arabidopsis thaliana metabolite (CHEBI:140602)
caprate phytyl ester (CHEBI:177028) is a fatty acid phytyl ester (CHEBI:177021)
IUPAC Name 
(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl decanoate
Synonyms  Source
decanoate phytyl esterChEBI
phytyl decanoateChEBI
phytyl caprateChEBI
(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl decanoateChEBI
(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl decanoic acid esterChEBI
UniProt Name  Source
decanoate phytyl esterUniProt
Citations