CHEBI:171834 - 2-Hexenyl hexanoate

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 2-Hexenyl hexanoate
ChEBI ID CHEBI:171834
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H22O2
Net Charge 0
Average Mass 198.306
Monoisotopic Mass 198.16198
InChI InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+
InChIKey UQPLEMTXCSYMEK-VQHVLOKHSA-N
SMILES O(C(=O)CCCCC)C\C=C\CCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 2-Hexenyl hexanoate (CHEBI:171834) is a fatty acid ester (CHEBI:35748)
IUPAC Name
[(E)-hex-2-enyl] hexanoate
Manual Xrefs Databases
4509759 ChemSpider
HMDB0038924 HMDB
LMFA07010587 LIPID MAPS
View more database links
Registry Number Type Source
53398-86-0 CAS Registry Number ChemIDplus