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CHEBI:55330 - 16-feruloyloxypalmitic acid

ChEBI IDCHEBI:55330
ChEBI Name16-feruloyloxypalmitic acid
Stars
DefinitionThe O-feruloyl derivative of 16-hydroxyhexadecanoic acid.
Last Modified28 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC26H40O6
Net Charge0
Average Mass448.600
Monoisotopic Mass448.28249
SMILESCOc1cc(/C=C/C(=O)OCCCCCCCCCCCCCCCC(=O)O)ccc1O
InChIInChI=1S/C26H40O6/c1-31-24-21-22(16-18-23(24)27)17-19-26(30)32-20-14-12-10-8-6-4-2-3-5-7-9-11-13-15-25(28)29/h16-19,21,27H,2-15,20H2,1H3,(H,28,29)/b19-17+
InChIKeyDCZDUZNVOVFUCD-HTXNQAPBSA-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-feruloyloxypalmitic acid (CHEBI:55330) has functional parent trans-ferulic acid (CHEBI:17620)
16-feruloyloxypalmitic acid (CHEBI:55330) is a monocarboxylic acid (CHEBI:25384)
16-feruloyloxypalmitic acid (CHEBI:55330) is conjugate acid of 16-feruloyloxypalmitate (CHEBI:55331)
Incoming Relation(s)
16-feruloyloxypalmitate (CHEBI:55331) is conjugate base of 16-feruloyloxypalmitic acid (CHEBI:55330)
IUPAC Name 
16-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}hexadecanoic acid
Synonym  Source
16-Feruloyloxypalmitic acidKEGG COMPOUND
Manual XrefsDatabases
C18217KEGG COMPOUND
Registry NumbersSources
Beilstein:5630504Beilstein
Beilstein:6824517Beilstein