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CHEBI:171710 - 2-Carboxy-4-dodecanolide

ChEBI IDCHEBI:171710
ChEBI Name2-Carboxy-4-dodecanolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22O4
Net Charge0
Average Mass242.315
Monoisotopic Mass242.15181
SMILESCCCCCCCCC1CC(C(=O)O)C(=O)O1
InChIInChI=1S/C13H22O4/c1-2-3-4-5-6-7-8-10-9-11(12(14)15)13(16)17-10/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyFMXVFWDIAZJILA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
2-Carboxy-4-dodecanolide (CHEBI:171710) is a γ-lactone (CHEBI:37581)
IUPAC Name 
5-octyl-2-oxooxolane-3-carboxylic acid
Manual XrefsDatabases
35013298ChemSpider
HMDB0030987HMDB