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CHEBI:127343 - 17-(4-hydroxyphenyl)heptadecanoic acid

Default Structure
ChEBI IDCHEBI:127343
ChEBI Name17-(4-hydroxyphenyl)heptadecanoic acid
Stars
DefinitionA monocarboxylic acid that is heptadecanoic acid in which one of the terminal methyl hydrogens is replaced by a 4-hydroxyphenyl group.
Last Modified18 April 2016
DownloadsMolfile
FormulaC23H38O3
Net Charge0
Average Mass362.554
Monoisotopic Mass362.28210
SMILESO=C(O)CCCCCCCCCCCCCCCCc1ccc(O)cc1
InChIInChI=1S/C23H38O3/c24-22-19-17-21(18-20-22)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-23(25)26/h17-20,24H,1-16H2,(H,25,26)
InChIKeyKGNHPHVILCBASG-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)
17-(4-hydroxyphenyl)heptadecanoic acid (CHEBI:127343) is a monocarboxylic acid (CHEBI:25384)
17-(4-hydroxyphenyl)heptadecanoic acid (CHEBI:127343) is a phenols (CHEBI:33853)
17-(4-hydroxyphenyl)heptadecanoic acid (CHEBI:127343) is conjugate acid of 17-(4-hydroxyphenyl)heptadecanoate (CHEBI:91233)
Incoming Relation(s)
17-(4-hydroxyphenyl)heptadecanoyl-AMP (CHEBI:127781) has functional parent 17-(4-hydroxyphenyl)heptadecanoic acid (CHEBI:127343)
17-(4-hydroxyphenyl)heptadecanoate (CHEBI:91233) is conjugate base of 17-(4-hydroxyphenyl)heptadecanoic acid (CHEBI:127343)
IUPAC Name 
17-(4-hydroxyphenyl)heptadecanoic acid
Manual XrefsDatabases
CPD-18623MetaCyc
Registry NumbersSources
Reaxys:19953719Reaxys
Citations