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CHEBI:172014 - 2,4,4-Trimethylcyclopentanone

ChEBI IDCHEBI:172014
ChEBI Name2,4,4-Trimethylcyclopentanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O
Net Charge0
Average Mass126.199
Monoisotopic Mass126.10447
SMILESCC1CC(C)(C)CC1=O
InChIInChI=1S/C8H14O/c1-6-4-8(2,3)5-7(6)9/h6H,4-5H2,1-3H3
InChIKeyOXTQEWUBDTVSFB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
2,4,4-Trimethylcyclopentanone (CHEBI:172014) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
2,4,4-trimethylcyclopentan-1-one
Manual XrefsDatabases
96588ChemSpider
HMDB0031197HMDB
Registry NumbersSources
CAS:4694-12-6ChemIDplus