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CHEBI:171755 - Isobutyl angelate

ChEBI IDCHEBI:171755
ChEBI NameIsobutyl angelate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O2
Net Charge0
Average Mass156.225
Monoisotopic Mass156.11503
SMILESC/C=C(/C)C(=O)OCC(C)C
InChIInChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5-
InChIKeyXDEGQMQKHFPBEW-YVMONPNESA-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)
Isobutyl angelate (CHEBI:171755) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2-methylpropyl (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
4519280ChemSpider
HMDB0037629HMDB
LMFA07010916LIPID MAPS
Registry NumbersSources
CAS:7779-81-9ChemIDplus