CHEBI:30765 - tropic acid

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ChEBI Name tropic acid
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
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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)
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.
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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)
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
Manual Xrefs Databases
C00035885 KNApSAcK
Tropic_acid Wikipedia
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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 Waiting for 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