CHEBI:168985 - 2-Propenyl cyclohexanepentanoate

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-Propenyl cyclohexanepentanoate
ChEBI ID CHEBI:168985
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C14H24O2
Net Charge 0
Average Mass 224.344
Monoisotopic Mass 224.17763
InChI InChI=1S/C14H24O2/c1-2-12-16-14(15)11-7-6-10-13-8-4-3-5-9-13/h2,13H,1,3-12H2
InChIKey NDXGAVFJHHVIQN-UHFFFAOYSA-N
SMILES O(C(=O)CCCCC1CCCCC1)CC=C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 2-Propenyl cyclohexanepentanoate (CHEBI:168985) is a fatty acid ester (CHEBI:35748)
IUPAC Name
prop-2-enyl 5-cyclohexylpentanoate
Manual Xrefs Databases
55336 ChemSpider
HMDB0037814 HMDB
LMFA07010745 LIPID MAPS
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Registry Number Type Source
7493-68-7 CAS Registry Number ChemIDplus