CHEBI:172074 - 6-Methyl-5-hepten-2-one propyleneglycol acetal

ChEBI IDCHEBI:172074
ChEBI Name6-Methyl-5-hepten-2-one propyleneglycol acetal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20O2
Net Charge0
Average Mass184.279
Monoisotopic Mass184.14633
SMILESCC(C)=CCCC1(C)OCC(C)O1
InChIInChI=1S/C11H20O2/c1-9(2)6-5-7-11(4)12-8-10(3)13-11/h6,10H,5,7-8H2,1-4H3
InChIKeyWBZMYLUNPPFHTA-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)
6-Methyl-5-hepten-2-one propyleneglycol acetal (CHEBI:172074) is a ketal (CHEBI:59777)
IUPAC Name 
2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
Manual XrefsDatabases
98237ChemSpider
HMDB0032404HMDB
Registry NumbersSources
CAS:68258-95-7ChemIDplus