CHEBI:172044 - trans-2-Hexenyl 2-methylbutyrate

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ChEBI Name trans-2-Hexenyl 2-methylbutyrate
ChEBI ID CHEBI:172044
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H20O2
Net Charge 0
Average Mass 184.279
Monoisotopic Mass 184.14633
InChI InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+
InChIKey SXJKRFLZGRFPBD-BQYQJAHWSA-N
SMILES O(C(=O)C(CC)C)C\C=C\CCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing trans-2-Hexenyl 2-methylbutyrate (CHEBI:172044) is a fatty acid ester (CHEBI:35748)
IUPAC Name
[(E)-hex-2-enyl] 2-methylbutanoate
Manual Xrefs Databases
4509339 ChemSpider
HMDB0032534 HMDB
LMFA07011028 LIPID MAPS
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Registry Number Type Source
94089-01-7 CAS Registry Number ChemIDplus