EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127547 - 19-(4-hydroxyphenyl)nonadecanoic acid

ChEBI IDCHEBI:127547
ChEBI Name19-(4-hydroxyphenyl)nonadecanoic acid
Stars
DefinitionA monocarboxylic acid that is nonadecanoic acid in which one of the terminal methyl hydrogens is replaced by a 4-hydroxyphenyl group.
Last Modified18 April 2016
DownloadsMolfile
FormulaC25H42O3
Net Charge0
Average Mass390.608
Monoisotopic Mass390.31340
SMILESO=C(O)CCCCCCCCCCCCCCCCCCc1ccc(O)cc1
InChIInChI=1S/C25H42O3/c26-24-21-19-23(20-22-24)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-25(27)28/h19-22,26H,1-18H2,(H,27,28)
InChIKeyIJOZORVJRYYXLX-UHFFFAOYSA-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)
19-(4-hydroxyphenyl)nonadecanoic acid (CHEBI:127547) is a monocarboxylic acid (CHEBI:25384)
19-(4-hydroxyphenyl)nonadecanoic acid (CHEBI:127547) is a phenols (CHEBI:33853)
19-(4-hydroxyphenyl)nonadecanoic acid (CHEBI:127547) is conjugate acid of 19-(4-hydroxyphenyl)nonadecanoate (CHEBI:91236)
Incoming Relation(s)
19-(4-hydroxyphenyl)nonadecanoyl-AMP (CHEBI:128120) has functional parent 19-(4-hydroxyphenyl)nonadecanoic acid (CHEBI:127547)
19-(4-hydroxyphenyl)nonadecanoate (CHEBI:91236) is conjugate base of 19-(4-hydroxyphenyl)nonadecanoic acid (CHEBI:127547)
IUPAC Name 
19-(4-hydroxyphenyl)nonadecanoic acid
Manual XrefsDatabases
CPD-18657MetaCyc
Registry NumbersSources
Reaxys:19953721Reaxys