Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:16424 - phenylacetaldehyde
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
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-CH
2
-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