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CHEBI:145764 - 16-sinapoyloxypalmitic acid

Default Structure
ChEBI IDCHEBI:145764
ChEBI Name16-sinapoyloxypalmitic acid
Stars
DefinitionA carboxylic ester resulting from the formal condensation of the carboxy group of trans-sinapic acid with the hydroxy group of 16-hydroxyhexadecanoic acid.
Last Modified8 January 2020
SubmitterAdnan
DownloadsMolfile
FormulaC27H42O7
Net Charge0
Average Mass478.626
Monoisotopic Mass478.29305
SMILESCOc1cc(/C=C/C(=O)OCCCCCCCCCCCCCCCC(=O)O)cc(OC)c1O
InChIInChI=1S/C27H42O7/c1-32-23-20-22(21-24(33-2)27(23)31)17-18-26(30)34-19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-25(28)29/h17-18,20-21,31H,3-16,19H2,1-2H3,(H,28,29)/b18-17+
InChIKeyBTZKCJJXILZIFU-ISLYRVAYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
16-sinapoyloxypalmitic acid (CHEBI:145764) has functional parent trans-sinapic acid (CHEBI:15714)
16-sinapoyloxypalmitic acid (CHEBI:145764) is a carboxylic ester (CHEBI:33308)
16-sinapoyloxypalmitic acid (CHEBI:145764) is a monocarboxylic acid (CHEBI:25384)
16-sinapoyloxypalmitic acid (CHEBI:145764) is conjugate acid of 16-sinapoyloxypalmitate (CHEBI:145765)
Incoming Relation(s)
16-sinapoyloxypalmitate (CHEBI:145765) is conjugate base of 16-sinapoyloxypalmitic acid (CHEBI:145764)
IUPAC Name 
16-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}hexadecanoic acid
Synonyms  Source
(E)-16-(3-(4-hydroxy-3,5-dimethoxyphenyl)acryloyloxy)hexadecanoic acidMetaCyc
ω-sinapoyloxypalmitic acidMetaCyc