CHEBI:17000 - tropate

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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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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