CHEBI:171755 - Isobutyl angelate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Isobutyl angelate
ChEBI ID CHEBI:171755
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H16O2
Net Charge 0
Average Mass 156.225
Monoisotopic Mass 156.11503
InChI InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5-
InChIKey XDEGQMQKHFPBEW-YVMONPNESA-N
SMILES O(CC(C)C)C(=O)/C(/C)=C\C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). See: MetaboLights Study
ChEBI Ontology
Outgoing Isobutyl angelate (CHEBI:171755) is a fatty acid ester (CHEBI:35748)
IUPAC Name
2-methylpropyl (Z)-2-methylbut-2-enoate
Manual Xrefs Databases
4519280 ChemSpider
HMDB0037629 HMDB
LMFA07010916 LIPID MAPS
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Registry Number Type Source
7779-81-9 CAS Registry Number ChemIDplus