loading...| Preferred Name |
phenylacetic acid |
|
| Synonyms |
phenylacetic acid Phenylacetic acid benzeneacetic acid alpha-toluic acid Benzeneacetic acid 2-Phenylethanoic acid 2-PHENYLACETIC ACID omega-phenylacetic acid Omega-Phenylacetic acid Benzylformic acid PA |
|
| Definitions |
A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_30745 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:24587751 Beilstein:1099647 Wikipedia:Phenylacetic_acid KEGG:C07086 PMID:12569987 Reaxys:1099647 PMID:15057459 Drug_Central:4624 PMID:15506622 MetaCyc:PHENYLACETATE PMID:12147706 PMID:7716788 Gmelin:68976 YMDB:YMDB00891 PMID:2083978 ECMDB:ECMDB04128 PMID:7544181 HMDB:HMDB0000209 KNApSAcK:C00000750 PDBeChem:PAC PMID:15646820 PMID:24631718 CAS:103-82-2 PMID:17622769 |
|
| definition |
A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. |
|
| formula |
C8H8O2 |
|
| has exact synonym |
phenylacetic acid Phenylacetic acid |
|
| has functional parent | ||
| has related synonym |
benzeneacetic acid alpha-toluic acid Benzeneacetic acid 2-Phenylethanoic acid 2-PHENYLACETIC ACID omega-phenylacetic acid Omega-Phenylacetic acid Benzylformic acid PA |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_75772 http://purl.obolibrary.org/obo/CHEBI_90318 http://purl.obolibrary.org/obo/CHEBI_77746 http://purl.obolibrary.org/obo/CHEBI_22676 http://purl.obolibrary.org/obo/CHEBI_27026 http://purl.obolibrary.org/obo/CHEBI_50904 http://purl.obolibrary.org/obo/CHEBI_76956 |
|
| has_alternative_id |
CHEBI:44686 CHEBI:25977 CHEBI:8085 |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:30745 |
|
| in_subset | ||
| inchi |
InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) |
|
| inchikey |
WLJVXDMOQOGPHL-UHFFFAOYSA-N |
|
| is conjugate acid of | ||
| label |
phenylacetic acid |
|
| mass |
136.14792 |
|
| monoisotopicmass |
136.05243 |
|
| notation |
CHEBI:30745 |
|
| prefLabel |
phenylacetic acid |
|
| smiles |
OC(=O)Cc1ccccc1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_25978 |