CHEBI:172049 - cis-3-Hexenyl trans-2-hexenoate

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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 cis-3-Hexenyl trans-2-hexenoate
ChEBI ID CHEBI:172049
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H20O2
Net Charge 0
Average Mass 196.290
Monoisotopic Mass 196.14633
InChI InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7-8,10H,3-4,6,9,11H2,1-2H3/b7-5-,10-8+
InChIKey WAZKUHYKUCORDK-SUTBWYPISA-N
SMILES O(CC/C=C\CC)C(=O)\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 cis-3-Hexenyl trans-2-hexenoate (CHEBI:172049) is a fatty acid ester (CHEBI:35748)
IUPAC Name
[(Z)-hex-3-enyl] (E)-hex-2-enoate
Manual Xrefs Databases
4519167 ChemSpider
HMDB0038280 HMDB
LMFA07010809 LIPID MAPS
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Registry Number Type Source
53398-87-1 CAS Registry Number ChemIDplus