CHEBI:171817 - xi-5-Dodecanolide

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 xi-5-Dodecanolide
ChEBI ID CHEBI:171817
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/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
InChIKey QRPLZGZHJABGRS-UHFFFAOYSA-N
SMILES O1C(CCCCCCC)CCCC1=O
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 xi-5-Dodecanolide (CHEBI:171817) is a δ-lactone (CHEBI:18946)
IUPAC Name
6-heptyloxan-2-one
Synonym Source
δ-dodecalactone UniProt
Manual Xrefs Databases
12314 ChemSpider
HMDB0037742 HMDB
LMFA07040040 LIPID MAPS
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Registry Number Type Source
713-95-1 CAS Registry Number ChemIDplus
Last Modified
20 July 2023