CHEBI:177027 - laurate phytyl ester

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ChEBI Name laurate phytyl ester ChEBI ID CHEBI:177027 Definition A fatty acid phytyl ester resulting from the formal condensation of the hydroxy group of phytol with the carboxy group of dodecanoic acid. Stars This entity has been manually annotated by the ChEBI Team. Submitter Lucila Aimo Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C32H62O2 Net Charge 0 Average Mass 478.846 Monoisotopic Mass 478.47498 InChI InChI=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 InChIKey AGWFXWWNJHQGIB-KONNFPMYSA-N SMILES CCCCCCCCCCCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 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 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 Sources (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl dodecanoate ChEBI (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl dodecanoic acid ester ChEBI dodecanoate phytyl ester UniProt dodecanoate phytyl ester ChEBI phytyl dodecanoate ChemIDplus phytyl laurate ChemIDplus Manual Xref Database 21248492 ChemSpider View more database links Registry Number Type Source 72996-18-0 CAS Registry Number ChemIDplus Citation Type Source 22623494 PubMed citation Europe PMC Last Modified 10 August 2021