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CHEBI:17169 - benzaldehyde

ChEBI IDCHEBI:17169
ChEBI Namebenzaldehyde
Stars
DefinitionAn arenecarbaldehyde that consists of benzene bearing a single formyl substituent; the simplest aromatic aldehyde and parent of the class of benzaldehydes.
Secondary ChEBI IDsCHEBI:3019, CHEBI:13875, CHEBI:22697
Last Modified5 August 2016
DownloadsMolfile
FormulaC7H6O
Net Charge0
Average Mass106.124
Monoisotopic Mass106.04186
SMILES[H]C(=O)c1ccccc1
InChIInChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKeyHUMNYLRZRPPJDN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
EC 3.5.5.1 (nitrilase) inhibitor  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.
odorant receptor agonist  An agonist that selectively binds to and activates an odorant receptor.
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Applications:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
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) inhibitor (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  Source
BenzaldehydeKEGG COMPOUND
Benzoic aldehydeKEGG COMPOUND
BenzenecarbonalChemIDplus
Benzene carboxaldehydeChemIDplus
PhenylmethanalChemIDplus
Synthetic oil of bitter almondChemIDplus
UniProt Name  Source
benzaldehydeUniProt
Manual XrefsDatabases
C00261KEGG COMPOUND
C00261KEGG COMPOUND
c0279UM-BBD
D02314KEGG DRUG
HMDB0006115HMDB
BENZALDEHYDEMetaCyc
BenzaldehydeWikipedia
C00193KEGG COMPOUND
HBXPDBeChem
Registry NumbersSources
Reaxys:471223Reaxys
CAS:100-52-7KEGG COMPOUND
CAS:100-52-7ChemIDplus
CAS:100-52-7NIST Chemistry WebBook
Citations