CHEBI:28476 - m-tolualdehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name m-tolualdehyde
ChEBI ID CHEBI:28476
ChEBI ASCII Name m-tolualdehyde
Definition A tolualdehyde compound with the methyl substituent at the 3-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1592, CHEBI:20122
Supplier Information
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Formula C8H8O
Net Charge 0
Average Mass 120.14850
Monoisotopic Mass 120.05751
InChI InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
InChIKey OVWYEQOVUDKZNU-UHFFFAOYSA-N
SMILES Cc1cccc(C=O)c1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing m-tolualdehyde (CHEBI:28476) has role plant metabolite (CHEBI:76924)
m-tolualdehyde (CHEBI:28476) is a tolualdehyde (CHEBI:27020)
IUPAC Name
3-methylbenzaldehyde
Synonyms Sources
3-Methylbenzaldehyde KEGG COMPOUND
3-Tolylaldehyde ChemIDplus
m-Methylbenzaldehyde ChemIDplus
m-Tolualdehyde KEGG COMPOUND
m-Toluylaldehyde NIST Chemistry WebBook
m-Tolyl aldehyde ChemIDplus
Manual Xrefs Databases
C07209 KEGG COMPOUND
CPD-8774 MetaCyc
HMDB0029637 HMDB
View more database links
Registry Numbers Types Sources
482069 Gmelin Registry Number Gmelin
620-23-5 CAS Registry Number KEGG COMPOUND
620-23-5 CAS Registry Number NIST Chemistry WebBook
620-23-5 CAS Registry Number ChemIDplus
741964 Reaxys Registry Number Reaxys
741964 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
12791539 PubMed citation Europe PMC
24312872 PubMed citation Europe PMC
Last Modified
16 July 2015