CHEBI:17169 - benzaldehyde

Main ChEBI Ontology Automatic Xrefs
ChEBI Name benzaldehyde
ChEBI ID CHEBI:17169
Definition An arenecarbaldehyde that consists of benzene bearing a single formyl substituent; the simplest aromatic aldehyde and parent of the class of benzaldehydes.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3019, CHEBI:13875, CHEBI:22697
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Formula C7H6O
Net Charge 0
Average Mass 106.12190
InChI InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKey HUMNYLRZRPPJDN-UHFFFAOYSA-N
SMILES O=Cc1ccccc1
Roles Classification
Chemical Role(s): EC 3.5.5.1 (nitrilase) inhhibitor
An EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitor that interferes with the action of nitrilase (EC 3.5.5.1).
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of triacylglycerol lipase (EC 3.1.1.3).
Biological Role(s): EC 3.5.5.1 (nitrilase) inhhibitor
An EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitor that interferes with the action of nitrilase (EC 3.5.5.1).
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of triacylglycerol lipase (EC 3.1.1.3).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
odorant receptor agonist
An agonist that selectively binds to and activates an odorant receptor.
Application(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing benzaldehyde (CHEBI:17169) has role EC 3.1.1.3 (triacylglycerol lipase) inhibitor (CHEBI:65001)
benzaldehyde (CHEBI:17169) has role EC 3.5.5.1 (nitrilase) inhhibitor (CHEBI:77118)
benzaldehyde (CHEBI:17169) has role flavouring agent (CHEBI:35617)
benzaldehyde (CHEBI:17169) has role fragrance (CHEBI:48318)
benzaldehyde (CHEBI:17169) has role odorant receptor agonist (CHEBI:62873)
benzaldehyde (CHEBI:17169) has role plant metabolite (CHEBI:76924)
benzaldehyde (CHEBI:17169) is a benzaldehydes (CHEBI:22698)
IUPAC Name
benzaldehyde
Synonyms Sources
Artificial almond oil ChemIDplus
Benzaldehyde KEGG COMPOUND
Benzanoaldehyde HMDB
Benzene carbaldehyde ChemIDplus
Benzene carboxaldehyde ChemIDplus
Benzenecarbonal ChemIDplus
Benzenecarboxaldehyde ChemIDplus
Benzenemethylal ChemIDplus
Benzoic acid aldehyde HMDB
Benzoic aldehyde KEGG COMPOUND
Benzoic aldehyde ChemIDplus
Benzylaldehyde NIST Chemistry WebBook
Ethereal oil of bitter almonds HMDB
Phenylformaldehyde HMDB
Phenylmethanal ChemIDplus
Synthetic oil of bitter almond ChemIDplus
Database Links Databases
Benzaldehyde Wikipedia
BENZALDEHYDE MetaCyc
C00193 KEGG COMPOUND
C00261 KEGG COMPOUND
c0279 UM-BBD
D02314 KEGG DRUG
HBX PDBeChem
HMDB06115 HMDB
View more database links
Registry Numbers Types Sources
100-52-7 CAS Registry Number KEGG COMPOUND
100-52-7 CAS Registry Number ChemIDplus
100-52-7 CAS Registry Number NIST Chemistry WebBook
471223 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11943806 PubMed citation CiteXplore
12692643 PubMed citation CiteXplore
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21773601 PubMed citation CiteXplore
21828928 PubMed citation CiteXplore
23263855 PubMed citation CiteXplore
Last Modified
28 July 2014
General Comment
2014-01-27 For inhibition of triacylglycerol lipase by benzaldehyde, see Xiong, J., Wu, J., Xu, G. and Yang, L., Chem. Eng. J., 2008, v138, pp 258-263.