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CHEBI:172099 - Diethyl decanedioate

ChEBI IDCHEBI:172099
ChEBI NameDiethyl decanedioate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26O4
Net Charge0
Average Mass258.358
Monoisotopic Mass258.18311
SMILESCCOC(=O)CCCCCCCCC(=O)OCC
InChIInChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3
InChIKeyONKUXPIBXRRIDU-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)
Diethyl decanedioate (CHEBI:172099) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
diethyl decanedioate
Manual XrefsDatabases
7758ChemSpider
D10682KEGG DRUG
HMDB0040429HMDB
Registry NumbersSources
CAS:110-40-7ChemIDplus