CHEBI:177028 - caprate phytyl ester

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ChEBI Name caprate phytyl ester
ChEBI ID CHEBI:177028
Definition A fatty acid phytyl ester resulting from the formal condensation of the hydroxy group of phytol with the carboxy group of decanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C30H58O2
Net Charge 0
Average Mass 450.792
Monoisotopic Mass 450.44368
InChI InChI=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
InChIKey VQNBYXCYEWSWMZ-JNXGHUNNSA-N
SMILES CCCCCCCCCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
Metabolite of Species Details
Centaurea scabiosa (NCBI:txid145517) Found in flower (BTO:0000469). See: PubMed
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 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 Sources
(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl decanoate ChEBI
(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl decanoic acid ester ChEBI
decanoate phytyl ester UniProt
decanoate phytyl ester ChEBI
phytyl caprate ChEBI
phytyl decanoate ChEBI
Citations Waiting for Citations Types Sources
22623494 PubMed citation SUBMITTER
34201790 PubMed citation Europe PMC
Last Modified
10 August 2021