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 135.04515
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 Reaxys Registry Number Reaxys
Last Modified
20 June 2018