CHEBI:18401 - phenylacetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name phenylacetate
ChEBI ID CHEBI:18401
Definition A monocarboxylic acid anion that is the conjugate base of phenylacetic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14779, CHEBI:25975
Supplier Information
Download Molfile XML SDF
Formula C8H7O2
Net Charge -1
Average Mass 135.13998
Monoisotopic Mass 135.045
InChI InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1
InChIKey WLJVXDMOQOGPHL-UHFFFAOYSA-M
SMILES [O-]C(=O)Cc1ccccc1
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing phenylacetate (CHEBI:18401) has functional parent acetate (CHEBI:30089)
phenylacetate (CHEBI:18401) has role Escherichia coli metabolite (CHEBI:76971)
phenylacetate (CHEBI:18401) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
phenylacetate (CHEBI:18401) has role human metabolite (CHEBI:77746)
phenylacetate (CHEBI:18401) has role plant metabolite (CHEBI:76924)
phenylacetate (CHEBI:18401) is a monocarboxylic acid anion (CHEBI:35757)
phenylacetate (CHEBI:18401) is conjugate base of phenylacetic acid (CHEBI:30745)
Incoming (3,4-dihydroxyphenyl)acetate (CHEBI:17612) has functional parent phenylacetate (CHEBI:18401)
2,4,5-trihydroxyphenylacetate (CHEBI:138056) has functional parent phenylacetate (CHEBI:18401)
phenylacetic acid (CHEBI:30745) is conjugate acid of phenylacetate (CHEBI:18401)
IUPAC Name
phenylacetate
Synonyms Sources
2-phenylacetate UniProt
2-phenylethanoate ChEBI
phenylacetate anion ChEBI
phenylacetate(1−) ChEBI
phenylacetic acid anion ChEBI
Manual Xrefs Databases
c0211 UM-BBD
PHENYLACETATE MetaCyc
View more database links
Registry Numbers Types Sources
327522 Gmelin Registry Number Gmelin
3539899 Beilstein Registry Number Beilstein
3539899 Reaxys Registry Number Reaxys
Last Modified
20 June 2018