CHEBI:28476 - m-tolualdehyde

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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 ChemicalBook:CB7452084, eMolecules:532075, ZINC000000896722
Download Molfile XML SDF
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-methylbenzaldehyde UniProt
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
Citations Waiting for Citations
Last Modified
30 May 2024