CHEBI:36386 - dichloroacetic acid

Main ChEBI Ontology Automatic Xrefs
ChEBI Name dichloroacetic acid
ChEBI ID CHEBI:36386
Definition An organochlorine compound comprising acetic acid carrying two chloro substituents at the 2-position. It occurs in nature in seaweed, Asparagopsis taxiformis.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23695, CHEBI:4502, CHEBI:49918
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Formula C2H2Cl2O2
Net Charge 0
Average Mass 128.94148
InChI InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey JXTHNDFMNIQAHM-UHFFFAOYSA-N
SMILES OC(=O)C(Cl)Cl
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dichloroacetic acid (CHEBI:36386) has functional parent acetic acid (CHEBI:15366)
dichloroacetic acid (CHEBI:36386) has role astringent (CHEBI:74783)
dichloroacetic acid (CHEBI:36386) has role marine metabolite (CHEBI:76507)
dichloroacetic acid (CHEBI:36386) is a monocarboxylic acid (CHEBI:25384)
dichloroacetic acid (CHEBI:36386) is a organochlorine compound (CHEBI:36683)
dichloroacetic acid (CHEBI:36386) is conjugate acid of dichloroacetate (CHEBI:28240)
Incoming dichloroacetyl chloride (CHEBI:34688) has functional parent dichloroacetic acid (CHEBI:36386)
dichloroacetate (CHEBI:28240) is conjugate base of dichloroacetic acid (CHEBI:36386)
IUPAC Name
dichloroacetic acid
Synonyms Sources
2,2-dichloroacetic acid ChemIDplus
bichloracetic acid NIST Chemistry WebBook
dichloracetic acid NIST Chemistry WebBook
Dichloressigsäure ChEBI
DICHLORO-ACETIC ACID PDBeChem
Dichloroacetate KEGG COMPOUND
Database Links Databases
C11149 KEGG COMPOUND
CPD-9674 MetaCyc
DB08809 DrugBank
Dichloroacetic_acid Wikipedia
TF4 PDBeChem
View more database links
Registry Numbers Types Sources
1098596 Beilstein Registry Number ChemIDplus
1098596 Reaxys Registry Number Reaxys
2477 Gmelin Registry Number Gmelin
79-43-6 CAS Registry Number KEGG COMPOUND
79-43-6 CAS Registry Number NIST Chemistry WebBook
79-43-6 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
24112699 PubMed citation CiteXplore
Last Modified
24 April 2014