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CHEBI:177029 - all-cis-hexadeca-7,10,13-trienoate phytyl ester

ChEBI IDCHEBI:177029
ChEBI Nameall-cis-hexadeca-7,10,13-trienoate phytyl ester
Stars
ASCII Nameall-cis-hexadeca-7,10,13-trienoate phytyl ester
DefinitionA fatty acid phytyl ester resulting from the formal condensation of the hydroxy group of phytol with the carboxy group of all-cis-7,10,13-hexadecatrienoic acid.
Last Modified10 August 2021
Submitterlaimo
DownloadsMolfile
FormulaC36H64O2
Net Charge0
Average Mass528.906
Monoisotopic Mass528.49063
SMILESCC/C=C\C/C=C\C/C=C\CCCCCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C36H64O2/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/h8-9,11-12,14-15,30,32-34H,7,10,13,16-29,31H2,1-6H3/b9-8-,12-11-,15-14-,35-30+/t33-,34-/m1/s1
InChIKeyIFLGMCSHRVRADR-FJZIQLJRSA-N
Roles Classification
Biological Role:
Arabidopsis thaliana metabolite  Any plant metabolite that is produced by Arabidopsis thaliana.
ChEBI Ontology
Outgoing Relation(s)
all-cis-hexadeca-7,10,13-trienoate phytyl ester (CHEBI:177029) has functional parent all-cis-7,10,13-hexadecatrienoic acid (CHEBI:22340)
all-cis-hexadeca-7,10,13-trienoate phytyl ester (CHEBI:177029) has role Arabidopsis thaliana metabolite (CHEBI:140602)
all-cis-hexadeca-7,10,13-trienoate phytyl ester (CHEBI:177029) is a fatty acid phytyl ester (CHEBI:177021)
IUPAC Name 
(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
Synonyms  Source
(7Z,10Z,13Z)-hexadecatrienoate phytyl esterChEBI
(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl (7Z,10Z,13Z)-hexadeca-7,10,13-trienoateChEBI
UniProt Name  Source
(7Z,10Z,13Z)-hexadecatrienoate phytyl esterUniProt
Citations