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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
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Formula C8H8O
Net Charge 0
Average Mass 120.14850
Monoisotopic Mass 120.058
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:10090) Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Escherichia coli (NCBI:562) See: PubMed
Homo sapiens (NCBI:9606) 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)
IUPAC Name
phenylacetaldehyde
Synonyms Sources
1-Oxo-2-phenylethane ChemIDplus
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
phenylacetaldehyde UniProt
Phenylacetic aldehyde HMDB
Database Links Databases
C00007535 KNApSAcK
C00601 KEGG COMPOUND
c0210 UM-BBD
DB02178 DrugBank
HMDB06236 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
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
27 January 2016