CHEBI:88437 - 3-Methyl-3-buten-2-one

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ChEBI Name 3-Methyl-3-buten-2-one ChEBI ID CHEBI:88437 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C5H8O Net Charge 0 Average Mass 84.117 Monoisotopic Mass 84.05751 InChI InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3 InChIKey ZGHFDIIVVIFNPS-UHFFFAOYSA-N SMILES C=C(C)C(C)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed ChEBI Ontology Outgoing 3-Methyl-3-buten-2-one (CHEBI:88437) has functional parent acrylic acid (CHEBI:18308) 3-Methyl-3-buten-2-one (CHEBI:88437) is a olefinic compound (CHEBI:78840) Synonyms Sources 2-Methyl-1-buten-3-one HMDB 2-Methyl-1-butene-3-one HMDB 3- Methyl-3- butene-2- one (methyl isopropenyl ketone) HMDB 3-BUTEN,2-ONE,3-METHYL METHYL,ISOPROPENYL,KETONE HMDB 3-Butene-2-one, 3-methyl HMDB 3-Methyl-3-buten-2-on HMDB 3-Methyl-3-buten-2-on (GERMAN) HMDB 3-Methyl-3-Buten-2-one HMDB 3-Methyl-3-buten-2-one dimer HMDB 3-Methyl-3-butene-2-one HMDB 3-Methyl-3-butenone HMDB 3-Methylbut-3-en-2-one HMDB 3-methylbut-3-en-2-one HMDB 3-Methylene-2-butanone HMDB CH2=C(CH3)C(=O)CH3 HMDB Isopropenyl methyl ketone HMDB Ketone, methyl isopropenyl HMDB Methyl butenone HMDB Methyl isopropenyl ketone HMDB Propen-2-yl methyl ketone HMDB Manual Xref Database HMDB0031530 HMDB View more database links Registry Number Type Source 814-78-8 CAS Registry Number KEGG COMPOUND Citation Type Source 24421258 PubMed citation Europe PMC