CHEBI:168426 - Triethyl citrate

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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 Triethyl citrate
ChEBI ID CHEBI:168426
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H20O7
Net Charge 0
Average Mass 276.285
Monoisotopic Mass 276.12090
InChI InChI=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
InChIKey DOOTYTYQINUNNV-UHFFFAOYSA-N
SMILES OC(CC(OCC)=O)(CC(OCC)=O)C(OCC)=O
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 Triethyl citrate (CHEBI:168426) is a carbonyl compound (CHEBI:36586)
IUPAC Name
triethyl 2-hydroxypropane-1,2,3-tricarboxylate
Manual Xrefs Databases
13850879 ChemSpider
D06228 KEGG DRUG
HMDB0034263 HMDB
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Registry Number Type Source
77-93-0 CAS Registry Number ChemIDplus