EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:133613 - p-hydroxyhippurate

ChEBI IDCHEBI:133613
ChEBI Namep-hydroxyhippurate
Stars
ASCII Namep-hydroxyhippurate
DefinitionA monocarboxylic acid anion that is the conjugate base of p-hydroxyhippuric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified12 October 2016
Submitterjjtluanloet
DownloadsMolfile
FormulaC9H8NO4
Net Charge-1
Average Mass194.166
Monoisotopic Mass194.04588
SMILESO=C([O-])CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)/p-1
InChIKeyZMHLUFWWWPBTIU-UHFFFAOYSA-M
Roles Classification
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
p-hydroxyhippurate (CHEBI:133613) has role human blood serum metabolite (CHEBI:85234)
p-hydroxyhippurate (CHEBI:133613) is a N-acylglycinate (CHEBI:57670)
p-hydroxyhippurate (CHEBI:133613) is a monocarboxylic acid anion (CHEBI:35757)
p-hydroxyhippurate (CHEBI:133613) is conjugate base of p-hydroxyhippuric acid (CHEBI:71018)
Incoming Relation(s)
p-hydroxyhippuric acid (CHEBI:71018) is conjugate acid of p-hydroxyhippurate (CHEBI:133613)
IUPAC Name 
(4-hydroxybenzamido)acetate
Synonyms  Source
4-hydroxyhippurateChEBI
4-hydroxybenzoylglycinateChEBI
p--hydroxybenzoylglycinateChEBI
Manual XrefsDatabases
HMDB0013678HMDB