EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:172072 - (E)-3-Heptenyl 2-methylpropanoate

ChEBI IDCHEBI:172072
ChEBI Name(E)-3-Heptenyl 2-methylpropanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20O2
Net Charge0
Average Mass184.279
Monoisotopic Mass184.14633
SMILESCCC/C=C/CCOC(=O)C(C)C
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
InChIKeyRMOVDPSOWOBAKR-VOTSOKGWSA-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)
(E)-3-Heptenyl 2-methylpropanoate (CHEBI:172072) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(E)-hept-3-enyl] 2-methylpropanoate
Manual XrefsDatabases
4941719ChemSpider
HMDB0032308HMDB
Registry NumbersSources
CAS:67801-45-0ChemIDplus