CHEBI:145764 - 16-sinapoyloxypalmitic acid

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ChEBI Name 16-sinapoyloxypalmitic acid
ChEBI ID CHEBI:145764
Definition A carboxylic ester resulting from the formal condensation of the carboxy group of trans-sinapic acid with the hydroxy group of 16-hydroxyhexadecanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H42O7
Net Charge 0
Average Mass 478.626
Monoisotopic Mass 478.29305
InChI InChI=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+
InChIKey BTZKCJJXILZIFU-ISLYRVAYSA-N
SMILES O(CCCCCCCCCCCCCCCC(O)=O)C(=O)/C=C/C1=CC(OC)=C(O)C(OC)=C1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 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 Sources
(E)-16-(3-(4-hydroxy-3,5-dimethoxyphenyl)acryloyloxy)hexadecanoic acid MetaCyc
ω-sinapoyloxypalmitic acid MetaCyc
Last Modified
08 January 2020