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phenylacetaldehyde (CHEBI:16424)

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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
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Formula Source
C8H8O ChEBI
Net Charge 0
Average Mass 120.14850
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 Source
Isolated from Homo sapiens (NCBI:9606) DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
secondary metabolite
A metabolite that is not directly involved in the normal growth, development or reproduction of an organism.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing phenylacetaldehyde (CHEBI:16424) has role human metabolite (CHEBI:75770)
phenylacetaldehyde (CHEBI:16424) has role secondary metabolite (CHEBI:26619)
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
Phenylacetic aldehyde HMDB
Database Links Databases
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 CiteXplore
16557466 PubMed citation CiteXplore
18954073 PubMed citation CiteXplore
21495722 PubMed citation CiteXplore
21627324 PubMed citation CiteXplore
Last Modified
10 March 2014

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