CHEBI:16424 - phenylacetaldehyde

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ChEBI Name phenylacetaldehyde ChEBI ID CHEBI:16424 Definition An aldehyde that consists of acetaldehyde bearing a methyl substituent; the parent member of the phenylacetaldehyde class of compounds. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:43163, CHEBI:8084, CHEBI:14778, CHEBI:25972 Supplier Information ChemicalBook:CB7852954, eMolecules:478134, ZINC000000895323 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Phenylacetaldehyde is an organic compound used in the synthesis of fragrances and polymers. Phenylacetaldehyde is an aldehyde that consists of acetaldehyde bearing a phenyl substituent; the parent member of the phenylacetaldehyde class of compounds. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is an alpha-CH2-containing aldehyde and a member of phenylacetaldehydes. Phenylacetaldehyde is one important oxidation-related aldehyde. Exposure to styrene gives phenylacetaldehyde as a secondary metabolite. Styrene has been implicated as reproductive toxicant, neurotoxicant, or carcinogen in vivo or in vitro. Phenylacetaldehyde could be formed by diverse thermal reactions during the cooking process together with C8 compounds is identified as a major aroma–active compound in cooked pine mushroom. Phenylacetaldehyde is readily oxidized to phenylacetic acid. Therefore will eventually be hydrolyzed and oxidized to yield phenylacetic acid that will be excreted primarily in the urine in conjugated form. Read full article at Wikipedia Formula C8H8O Net Charge 0 Average Mass 120.14850 Monoisotopic Mass 120.05751 InChI InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2 InChIKey DTUQWGWMVIHBKE-UHFFFAOYSA-N SMILES [H]C(=O)Cc1ccccc1 Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed Escherichia coli (NCBI:txid562) 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. 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). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing phenylacetaldehyde (CHEBI:16424) has role Escherichia coli metabolite (CHEBI:76971) phenylacetaldehyde (CHEBI:16424) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) phenylacetaldehyde (CHEBI:16424) has role human metabolite (CHEBI:77746) phenylacetaldehyde (CHEBI:16424) has role mouse metabolite (CHEBI:75771) phenylacetaldehyde (CHEBI:16424) is a α-CH2-containing aldehyde (CHEBI:73359) phenylacetaldehyde (CHEBI:16424) is a phenylacetaldehydes (CHEBI:25973) Incoming phenylacetaldehyde oxime (CHEBI:47791) has functional parent phenylacetaldehyde (CHEBI:16424) IUPAC Name phenylacetaldehyde Synonyms Sources 1-Oxo-2-phenylethane ChemIDplus 2-phenylacetaldehyde UniProt 2-phenylacetaldehyde NIST Chemistry WebBook 2-Phenylethanal ChemIDplus α-phenylacetaldehyde HMDB alpha-tolualdehyde ChEBI alpha-Tolualdehyde KEGG COMPOUND α-tolualdehyde HMDB α-toluic aldehyde HMDB Benzacetaldehyde NIST Chemistry WebBook Benzeneacetaldehyde HMDB Hyacinthin ChemIDplus Phenacetaldehyde HMDB Phenylacetaldehyde KEGG COMPOUND PHENYLACETALDEHYDE PDBeChem Phenylacetic aldehyde HMDB Manual Xrefs Databases C00007535 KNApSAcK C00601 KEGG COMPOUND c0210 UM-BBD DB02178 DrugBank HMDB0006236 HMDB HY1 PDBeChem Phenylacetaldehyde Wikipedia PHENYLACETALDEHYDE MetaCyc View more database links Registry Numbers Types Sources 122-78-1 CAS Registry Number KEGG COMPOUND 122-78-1 CAS Registry Number NIST Chemistry WebBook 122-78-1 CAS Registry Number ChemIDplus 385791 Reaxys Registry Number Reaxys Citations Types Sources 14698165 PubMed citation Europe PMC 16557466 PubMed citation Europe PMC 18954073 PubMed citation Europe PMC 21495722 PubMed citation Europe PMC 21627324 PubMed citation Europe PMC Last Modified 20 June 2018