loading...| Preferred Name |
dichloroacetic acid |
|
| Synonyms |
dichloroacetic acid DICHLORO-ACETIC ACID Dichloroacetate Dichloressigsaeure bichloracetic acid 2,2-dichloroacetic acid dichloracetic 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 |
Gmelin:2477 Reaxys:1098596 DrugBank:DB08809 Drug_Central:862 CAS:79-43-6 Beilstein:1098596 LINCS:LSM-5314 PDBeChem:TF4 KEGG:C11149 Wikipedia:Dichloroacetic_acid MetaCyc:CPD-9674 PMID:24112699 |
|
| formula |
C2H2Cl2O2 |
|
| has role | ||
| has_alternative_id |
CHEBI:23695 CHEBI:49918 CHEBI:4502 |
|
| has_exact_synonym |
dichloroacetic acid |
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
DICHLORO-ACETIC ACID Dichloroacetate Dichloressigsaeure bichloracetic acid 2,2-dichloroacetic acid dichloracetic 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 |
|
| textual definition |
An organochlorine compound comprising acetic acid carrying two chloro substituents at the 2-position. It occurs in nature in seaweed, Asparagopsis taxiformis. |
|
| subClassOf |