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CHEBI:168426 - Triethyl citrate

Default Structure
ChEBI IDCHEBI:168426
ChEBI NameTriethyl citrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O7
Net Charge0
Average Mass276.285
Monoisotopic Mass276.12090
SMILESCCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC
InChIInChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3
InChIKeyDOOTYTYQINUNNV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Triethyl citrate (CHEBI:168426) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
triethyl 2-hydroxypropane-1,2,3-tricarboxylate
Manual XrefsDatabases
13850879ChemSpider
D06228KEGG DRUG
HMDB0034263HMDB
Registry NumbersSources
CAS:77-93-0ChemIDplus