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CHEBI:28240 - dichloroacetate
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ChEBI Ontology
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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
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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.
View more via ChEBI Ontology
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
View more database links
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
Type
Source
21153705
PubMed citation
Europe PMC
Last Modified
26 October 2021