CHEBI:88428 - 3-Methyl-2-cyclohexen-1-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-Methyl-2-cyclohexen-1-one
ChEBI ID CHEBI:88428
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C7H10O
Net Charge 0
Average Mass 110.154
Monoisotopic Mass 110.07316
InChI InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3
InChIKey IITQJMYAYSNIMI-UHFFFAOYSA-N
SMILES CC=1CCCC(C1)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
ChEBI Ontology
Outgoing 3-Methyl-2-cyclohexen-1-one (CHEBI:88428) is a cyclic olefin (CHEBI:33642)
Synonyms Sources
3-Methyl-2-Cyclohexen-1-one HMDB
3-Methyl-2-cyclohexene-1-one HMDB
3-Methyl-2-cyclohexenone HMDB
3-Methyl-2-cyclohexenone-1 HMDB
3-methylcyclohex-2-en-1-one HMDB
3-Methylcyclohex-2-en-1-one HMDB
FEMA 3360 HMDB
Ghl.PD_Mitscher_leg0.699 HMDB
MCH HMDB
Methylcyclohexenone HMDB
Seudenone HMDB
Manual Xrefs Databases
2102 BPDB
HMDB0031541 HMDB
View more database links
Registry Number Type Source
1193-18-6 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
17314143 PubMed citation Europe PMC