Terminology Service for NFDI4Health
hydratropic acid
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http://purl.obolibrary.org/obo/CHEBI_48526
A 2-arylpropionic acid carrying a phenyl group at position 2. It is a metabolite of alpha-methylstyrene (AMS), a volatile hydrocarbon.
Term info
Label
hydratropic acid
Synonyms
- 2-phenylpropanoic acid
Subsets
3_STAR
charge
0
formula
C9H10O2
has obo namespace
chebi_ontology
has related synonym
alpha-phenylpropionic acid, (+-)-Hydratropasaeure, alpha-methylphenylacetic acid, alpha-methylbenzeneacetic acid, (+-)-hydratropic acid, 2-phenylpropionic acid, Hydratropasaeure
id
CHEBI:48526
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
mass
150.17450
monoisotopicmass
150.06808
smiles
CC(C(O)=O)c1ccccc1
Term relations
Subclass of:
- 2-arylpropionic acid
- has role some human xenobiotic metabolite
- has functional parent some phenylacetic acid