Preferred Name |
dichloroacetic acid |
|
Synonyms |
dichloroacetic acid Dichloressigsaeure DICHLORO-ACETIC ACID Dichloroacetate bichloracetic acid dichloracetic acid 2,2-dichloroacetic acid |
|
Definitions |
An organochlorine compound comprising acetic acid carrying two chloro substituents at the 2-position. It occurs in nature in seaweed, Asparagopsis taxiformis. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_36386 |
|
charge |
0 |
|
database_cross_reference |
MetaCyc:CPD-9674 PDBeChem:TF4 Gmelin:2477 Reaxys:1098596 KEGG:C11149 CAS:79-43-6 DrugBank:DB08809 PMID:24112699 LINCS:LSM-5314 Drug_Central:862 Beilstein:1098596 Wikipedia:Dichloroacetic_acid |
|
definition |
An organochlorine compound comprising acetic acid carrying two chloro substituents at the 2-position. It occurs in nature in seaweed, Asparagopsis taxiformis. |
|
formula |
C2H2Cl2O2 |
|
has functional parent | ||
has role | ||
has_alternative_id |
CHEBI:4502 CHEBI:49918 CHEBI:23695 |
|
has_exact_synonym |
dichloroacetic acid |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
Dichloressigsaeure DICHLORO-ACETIC ACID Dichloroacetate bichloracetic acid dichloracetic acid 2,2-dichloroacetic acid |
|
id |
CHEBI:36386 |
|
in_subset | ||
inchi |
InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) |
|
inchikey |
JXTHNDFMNIQAHM-UHFFFAOYSA-N |
|
is conjugate acid of | ||
label |
dichloroacetic acid |
|
mass |
128.94148 |
|
monoisotopicmass |
127.94318 |
|
notation |
CHEBI:36386 |
|
prefLabel |
dichloroacetic acid |
|
smiles |
OC(=O)C(Cl)Cl |
|
treeView | ||
subClassOf |