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CHEBI:17000 - tropate

ChEBI IDCHEBI:17000
ChEBI Nametropate
Stars
DefinitionA hydroxy monocarboxylic acid anion that results from the deprotonation of the carboxylic acid group of tropic acid.
Secondary ChEBI IDsCHEBI:15268, CHEBI:27156
Last Modified4 August 2015
DownloadsMolfile
FormulaC9H9O3
Net Charge-1
Average Mass165.168
Monoisotopic Mass165.05572
SMILESO=C([O-])C(CO)c1ccccc1
InChIInChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/p-1
InChIKeyJACRWUWPXAESPB-UHFFFAOYSA-M
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
tropate (CHEBI:17000) has functional parent propionate (CHEBI:17272)
tropate (CHEBI:17000) has role human xenobiotic metabolite (CHEBI:76967)
tropate (CHEBI:17000) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
tropate (CHEBI:17000) is conjugate base of tropic acid (CHEBI:30765)
Incoming Relation(s)
tropic acid (CHEBI:30765) is conjugate acid of tropate (CHEBI:17000)
IUPAC Name 
3-hydroxy-2-phenylpropanoate
UniProt Name  Source
tropateUniProt
Manual XrefsDatabases
C01456KEGG COMPOUND
TROPATEMetaCyc
Registry NumbersSources
Gmelin:329096Gmelin
CAS:529-64-6KEGG COMPOUND
CAS:552-63-6KEGG COMPOUND