CHEBI:28240 - dichloroacetate

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ChEBI Name dichloroacetate
ChEBI ID CHEBI:28240
Definition A monocarboxylic acid anion that is the conjugate base of dichloroacetic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23694
Supplier Information
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Formula C2HCl2O2
Net Charge -1
Average Mass 127.93400
Monoisotopic Mass 126.93591
InChI InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1
InChIKey JXTHNDFMNIQAHM-UHFFFAOYSA-M
SMILES [O-]C(=O)C(Cl)Cl
ChEBI Ontology
Outgoing dichloroacetate (CHEBI:28240) has functional parent acetate (CHEBI:30089)
dichloroacetate (CHEBI:28240) is a monocarboxylic acid anion (CHEBI:35757)
dichloroacetate (CHEBI:28240) is conjugate base of dichloroacetic acid (CHEBI:36386)
Incoming dichloroacetic acid (CHEBI:36386) is conjugate acid of dichloroacetate (CHEBI:28240)
IUPAC Name
dichloroacetate
Synonyms Sources
dichloracetate ChemIDplus
dichloroacetate ion ChemIDplus
dichloroacetic acid ion(1−) ChemIDplus
Manual Xrefs Databases
c0012 UM-BBD
CPD-9674 MetaCyc
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Registry Numbers Types Sources
13425-80-4 CAS Registry Number ChemIDplus
200685 Gmelin Registry Number Gmelin
3903873 Beilstein Registry Number ChemIDplus
3903873 Reaxys Registry Number Reaxys
Last Modified
12 July 2011