CHEBI:180295 - Isopropyl tiglate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Isopropyl tiglate
ChEBI ID CHEBI:180295
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H14O2
Net Charge 0
Average Mass 142.198
Monoisotopic Mass 142.09938
InChI InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5+
InChIKey VUPBIVVRPJDWNW-FNORWQNLSA-N
SMILES O(C(C)C)C(=O)/C(/C)=C/C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Isopropyl tiglate (CHEBI:180295) is a fatty acid ester (CHEBI:35748)
IUPAC Name
propan-2-yl (E)-2-methylbut-2-enoate
Manual Xref Database
4519229 ChemSpider
View more database links
Registry Number Type Source
1733-25-1 CAS Registry Number ChemIDplus