CHEBI:16424 - phenylacetaldehyde

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ChEBI Name phenylacetaldehyde
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
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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
SMILES [H]C(=O)Cc1ccccc1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:txid4932) Source: 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)
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
Phenylacetic aldehyde HMDB
Manual Xrefs Databases
C00007535 KNApSAcK
c0210 UM-BBD
DB02178 DrugBank
HMDB0006236 HMDB
HY1 PDBeChem
Phenylacetaldehyde Wikipedia
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
385791 Beilstein Registry Number Beilstein
Citations Waiting for 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