CHEBI:179383 - valeryl 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 valeryl hexanoate
ChEBI ID CHEBI:179383
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H22O2
Net Charge 0
Average Mass 186.295
Monoisotopic Mass 186.16198
InChI InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3
InChIKey WRFZKAGPPQGDDQ-UHFFFAOYSA-N
SMILES O(CCCCC)C(=O)CCCCC
ChEBI Ontology
Outgoing valeryl hexanoate (CHEBI:179383) is a fatty acid ester (CHEBI:35748)
IUPAC Name
pentyl hexanoate
Manual Xrefs Databases
10424 ChemSpider
HMDB0036229 HMDB
LMFA07010437 LIPID MAPS
View more database links
Registry Number Type Source
540-07-8 CAS Registry Number ChemIDplus