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
Roles Classification
Application(s): geroprotector
Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
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ChEBI Ontology
Outgoing dichloroacetate (CHEBI:28240) has functional parent acetate (CHEBI:30089)
dichloroacetate (CHEBI:28240) has role geroprotector (CHEBI:176497)
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
Citation Waiting for Citations Type Source
21153705 PubMed citation Europe PMC
Last Modified
26 October 2021