The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
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Preferred Name

dichloroacetic acid
Synonyms

Dichloressigsaeure

dichloroacetic acid

C2H2Cl2O2

DICHLORO-ACETIC ACID

Dichloroacetate

bichloracetic acid

dichloracetic acid

2,2-dichloroacetic acid
ID

http://purl.obolibrary.org/obo/CHEBI_36386
altId

CHEBI:4502

CHEBI:49918

CHEBI:23695
binds

http://purl.obolibrary.org/obo/dinto_2704
CASRN

79-43-6
DBname

dichloroacetic acid
DBSynonym

dichloroacetate

dca
Definition

An organochlorine compound comprising acetic acid carrying two chloro substituents at the 2-position.
has pharmacological target

http://purl.obolibrary.org/obo/dinto_2704
has role

http://purl.obolibrary.org/obo/CHEBI_74783
InChI

InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey

InChIKey=JXTHNDFMNIQAHM-UHFFFAOYSA-N
inhibits

http://purl.obolibrary.org/obo/dinto_2704
label

dichloroacetic acid
prefixIRI

obo2:CHEBI_36386
prefLabel

dichloroacetic acid
SMILES

OC(=O)C(Cl)Cl
Synonym

Dichloressigsaeure

dichloroacetic acid

C2H2Cl2O2

DICHLORO-ACETIC ACID

Dichloroacetate

bichloracetic acid

dichloracetic acid

2,2-dichloroacetic acid
xref

MetaCyc:CPD-9674

PDBeChem:TF4

Gmelin:2477

CASRN:79-43-6

ChEBI:36386

DrugBank:DB08809

CASRN:1098596

PharmGKB:PA165947835

Wikipedia:http://en.wikipedia.org/wiki/Dichloroacetic_acid

ChEMBL:113366

KEGG COMPOUND:C11149

NIST Chemistry WebBook:79-43-6
subClassOf

http://purl.obolibrary.org/obo/dinto_000055
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http://purl.obolibrary.org/obo/CHEBI_36386 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36386 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36386 HOIP SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36386 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36386 DDSS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36386 TXPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36386 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36386 UPHENO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36386 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36386 PHIPO SAME_URI
http://purl.bioontology.org/ontology/VANDF/4019102 VANDF LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#42203 OCHV LOOM
http://purl.obolibrary.org/obo/OMIT_0005270 OMIT LOOM
http://purl.bioontology.org/ontology/MESH/D003999 MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0600203 OCHV LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/421675006 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147360 NDFRT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.455.526.439.196.500 RH-MESH LOOM
http://purl.obolibrary.org/obo/CHEBI_36386 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_36386 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_36386 HOIP LOOM
http://purl.obolibrary.org/obo/CHEBI_36386 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_36386 DDSS LOOM
http://purl.obolibrary.org/obo/CHEBI_36386 TXPO LOOM
http://purl.obolibrary.org/obo/CHEBI_36386 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_36386 UPHENO LOOM
http://purl.obolibrary.org/obo/CHEBI_36386 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_36386 PHIPO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D003999 RH-MESH LOOM
http://purl.jp/bio/4/id/200906050901949828 IOBC LOOM
http://www.phoc.org.cn/pmo/class/PMO_00016296 PMAPP-PMO LOOM
http://purl.bioontology.org/ontology/RXNORM/155021 RXNORM LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.241.081.018.214.500 RH-MESH LOOM
http://purl.obolibrary.org/obo/MESH_D003999 BERO LOOM
http://purl.bioontology.org/ontology/NDDF/001958 NDDF LOOM
https://go.drugbank.com/drugs/DB08809 MDM LOOM
http://purl.bioontology.org/ontology/SNMI/C-81823 SNMI LOOM
http://stirdf.jst.go.jp/id/200907040455239038 IOBC LOOM