EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:145765 - 16-sinapoyloxypalmitate

Default Structure
ChEBI IDCHEBI:145765
ChEBI Name16-sinapoyloxypalmitate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of 16-sinapoyloxypalmitic acid resulting from the deprotonation of the carboxy group.
Last Modified8 January 2020
SubmitterAdnan
DownloadsMolfile
FormulaC27H41O7
Net Charge-1
Average Mass477.618
Monoisotopic Mass477.28578
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)/p-1/b18-17+
InChIKeyBTZKCJJXILZIFU-ISLYRVAYSA-M
ChEBI Ontology
Outgoing Relation(s)
16-sinapoyloxypalmitate (CHEBI:145765) is a monocarboxylic acid anion (CHEBI:35757)
16-sinapoyloxypalmitate (CHEBI:145765) is conjugate base of 16-sinapoyloxypalmitic acid (CHEBI:145764)
Incoming Relation(s)
16-sinapoyloxypalmitic acid (CHEBI:145764) is conjugate acid of 16-sinapoyloxypalmitate (CHEBI:145765)
IUPAC Name 
16-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}hexadecanoate
Synonyms  Source
(E)-16-(3-(4-hydroxy-3,5-dimethoxyphenyl)acryloyloxy)hexadecanoateMetaCyc
ω-sinapoyloxypalmitateMetaCyc
Manual XrefsDatabases
CPD-14765MetaCyc