CHEBI:15825 - 3-methylbut-2-enal

Main ChEBI Ontology Automatic Xrefs
ChEBI Name 3-methylbut-2-enal
ChEBI ID CHEBI:15825
Definition An enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11852, CHEBI:1594
Supplier Information
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Formula C5H8O
Net Charge 0
Average Mass 84.11642
InChI InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
InChIKey SEPQTYODOKLVSB-UHFFFAOYSA-N
SMILES CC(C)=CC=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-methylbut-2-enal (CHEBI:15825) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127)
3-methylbut-2-enal (CHEBI:15825) has role metabolite (CHEBI:25212)
3-methylbut-2-enal (CHEBI:15825) is a enal (CHEBI:51688)
IUPAC Name
3-methylbut-2-enal
Synonyms Sources
3,3-Dimethyl-acrylaldehyde KEGG COMPOUND
3,3-Dimethylacrolein ChemIDplus
3-methyl-2-butenal UniProt
3-Methyl-2-butenal ChemIDplus
3-Methylbut-2-enal KEGG COMPOUND
3-Methylcrotonaldehyde ChEBI
β,β-Dimethylacrolein NIST Chemistry WebBook
β-Methylcrotonaldehyde NIST Chemistry WebBook
Prenal KEGG COMPOUND
Senecialdehyde ChemIDplus
Senecioaldehyde ChemIDplus
Database Links Databases
C07330 KEGG COMPOUND
C15604 KEGG COMPOUND
HMDB12157 HMDB
PRENAL MetaCyc
View more database links
Registry Numbers Types Sources
107-86-8 CAS Registry Number KEGG COMPOUND
107-86-8 CAS Registry Number ChemIDplus
107-86-8 CAS Registry Number NIST Chemistry WebBook
1734740 Reaxys Registry Number Reaxys
1734740 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
1120289 PubMed citation CiteXplore
24254865 PubMed citation CiteXplore
8319634 PubMed citation CiteXplore
Last Modified
15 April 2015