CHEBI:17000 - tropate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tropate
ChEBI ID CHEBI:17000
Definition A hydroxy monocarboxylic acid anion that results from the deprotonation of the carboxylic acid group of tropic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:15268, CHEBI:27156
Supplier Information
Download Molfile XML SDF
Formula C9H9O3
Net Charge -1
Average Mass 165.16596
Monoisotopic Mass 165.05572
InChI InChI=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
InChIKey JACRWUWPXAESPB-UHFFFAOYSA-M
SMILES OCC(C([O-])=O)c1ccccc1
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 tropic acid (CHEBI:30765) is conjugate acid of tropate (CHEBI:17000)
IUPAC Name
3-hydroxy-2-phenylpropanoate
Synonym Source
tropate UniProt
Manual Xrefs Databases
C01456 KEGG COMPOUND
TROPATE MetaCyc
View more database links
Registry Numbers Types Sources
329096 Gmelin Registry Number Gmelin
529-64-6 CAS Registry Number KEGG COMPOUND
552-63-6 CAS Registry Number KEGG COMPOUND
Last Modified
04 August 2015