CHEBI:82269 - TCA-ethadyl

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name TCA-ethadyl
ChEBI ID CHEBI:82269
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C6H4Cl6O4
Net Charge 0
Average Mass 352.81200
Monoisotopic Mass 349.82407
InChI InChI=1S/C6H4Cl6O4/c7-5(8,9)3(13)15-1-2-16-4(14)6(10,11)12/h1-2H2
InChIKey SSDZRWBPFCFZGB-UHFFFAOYSA-N
SMILES ClC(Cl)(Cl)C(=O)OCCOC(=O)C(Cl)(Cl)Cl
ChEBI Ontology
Outgoing TCA-ethadyl (CHEBI:82269) has functional parent ethylene glycol (CHEBI:30742)
TCA-ethadyl (CHEBI:82269) has functional parent trichloroacetic acid (CHEBI:30956)
TCA-ethadyl (CHEBI:82269) is a diester (CHEBI:51307)
Manual Xref Database
C19149 KEGG COMPOUND
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Registry Number Type Source
2514-53-6 CAS Registry Number KEGG COMPOUND
Last Modified
12 May 2016