CHEBI:30765 - tropic acid

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ChEBI Name tropic acid ChEBI ID CHEBI:30765 Definition A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:9756, CHEBI:27157 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C9H10O3 Net Charge 0 Average Mass 166.17390 Monoisotopic Mass 166.06299 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) InChIKey JACRWUWPXAESPB-UHFFFAOYSA-N SMILES OCC(C(O)=O)c1ccccc1 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) 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 tropic acid (CHEBI:30765) has functional parent hydratropic acid (CHEBI:48526) tropic acid (CHEBI:30765) has functional parent propionic acid (CHEBI:30768) tropic acid (CHEBI:30765) has role human xenobiotic metabolite (CHEBI:76967) tropic acid (CHEBI:30765) is a 3-hydroxy monocarboxylic acid (CHEBI:35969) tropic acid (CHEBI:30765) is conjugate acid of tropate (CHEBI:17000) Incoming tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) has functional parent tropic acid (CHEBI:30765) (R)-tropic acid (CHEBI:30767) is a tropic acid (CHEBI:30765) (S)-tropic acid (CHEBI:30766) is a tropic acid (CHEBI:30765) tropate (CHEBI:17000) is conjugate base of tropic acid (CHEBI:30765) IUPAC Name 3-hydroxy-2-phenylpropanoic acid Synonyms Sources (±)-tropic acid ChEBI 2-phenylhydracrylic acid ChemIDplus 3-hydroxy-2-phenylpropionic acid ChEBI α-(hydroxymethyl)benzeneacetic acid NIST Chemistry WebBook alpha-(Hydroxymethyl)phenylacetic acid KEGG COMPOUND α-phenyl-β-hydroxypropionic acid NIST Chemistry WebBook β-hydroxyhydratropic acid NIST Chemistry WebBook Tropic acid KEGG COMPOUND Manual Xrefs Databases C00035885 KNApSAcK C01456 KEGG COMPOUND Tropic_acid Wikipedia View more database links Registry Numbers Types Sources 2209199 Beilstein Registry Number Beilstein 2209199 Reaxys Registry Number Reaxys 552-63-6 CAS Registry Number KEGG COMPOUND 552-63-6 CAS Registry Number ChemIDplus Citations Types Sources 17439666 PubMed citation Europe PMC 1796606 PubMed citation Europe PMC 20077079 PubMed citation Europe PMC 22467254 PubMed citation Europe PMC 6856668 PubMed citation Europe PMC 9023182 PubMed citation Europe PMC 9535182 PubMed citation Europe PMC Last Modified 16 July 2015