CHEBI:48526 - hydratropic acid

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ChEBI Name hydratropic acid
ChEBI ID CHEBI:48526
Definition A 2-arylpropionic acid carrying a phenyl group at position 2. It is a metabolite of α-methylstyrene (AMS), a volatile hydrocarbon.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H10O2
Net Charge 0
Average Mass 150.17450
Monoisotopic Mass 150.068
InChI InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKey YPGCWEMNNLXISK-UHFFFAOYSA-N
SMILES CC(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 hydratropic acid (CHEBI:48526) has functional parent phenylacetic acid (CHEBI:30745)
hydratropic acid (CHEBI:48526) has role human xenobiotic metabolite (CHEBI:76967)
hydratropic acid (CHEBI:48526) is a 2-arylpropionic acid (CHEBI:16333)
Incoming 2-(3-hydroxyphenyl)propionic acid (CHEBI:131432) has functional parent hydratropic acid (CHEBI:48526)
tropic acid (CHEBI:30765) has functional parent hydratropic acid (CHEBI:48526)
ximoprofen (CHEBI:48521) has functional parent hydratropic acid (CHEBI:48526)
(R)-hydratropic acid (CHEBI:43035) is a hydratropic acid (CHEBI:48526)
(S)-hydratropic acid (CHEBI:48527) is a hydratropic acid (CHEBI:48526)
IUPAC Name
2-phenylpropanoic acid
Synonyms Sources
(±)-Hydratropasäure ChEBI
(±)-hydratropic acid ChEBI
2-phenylpropionic acid NIST Chemistry WebBook
α-methylbenzeneacetic acid NIST Chemistry WebBook
α-methylphenylacetic acid NIST Chemistry WebBook
α-phenylpropionic acid NIST Chemistry WebBook
Hydratropasäure ChEBI
Database Link Database
HMDB0011743 HMDB
View more database links
Registry Numbers Types Sources
1863558 Beilstein Registry Number Beilstein
1863558 Reaxys Registry Number Reaxys
492-37-5 CAS Registry Number ChemIDplus
492-37-5 CAS Registry Number NIST Chemistry WebBook
506182 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
11159807 PubMed citation Europe PMC
2865113 PubMed citation Europe PMC
412331 PubMed citation Europe PMC
939327 PubMed citation Europe PMC
Last Modified
14 November 2016