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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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The Swiss Initiative in Systems Biology

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dichloroacetate

Properties

Image

Occurences in reactions

MNX_ID

MNXM5126

Image of MNXM5126

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	3

formula

C₂HCl₂O₂

charge

-1

mass

126.93591

reference

InChIKey

JXTHNDFMNIQAHM-UHFFFAOYSA-M

InChI

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

SMILES

O=C([O-])C(Cl)Cl

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9010792 reactomeM:R-ALL-9010792 CHEBI:28240 chebi:28240	dichloroacetate dichloracetate dichloroacetate ion dichloroacetic acid ion(1-)
metacyc.compound:CPD-9674 metacycM:CPD-9674	2,2-dichloroacetate 2,2-dichloroacetic acid DCA
sabiork.compound:13226 sabiorkM:13226 envipath:...e33b682d6a55 envipathM:...e33b682d6a55 kegg.compound:C11149 keggC:C11149	Dichloroacetate
seed.compound:cpd08027 seedM:cpd08027	Dichloroacetate 2,2-dichloroacetate 2,2-dichloroacetic acid DCA dichloroacetate trichloroacetic acid
lipidmaps:LMFA01090070 lipidmapsM:LMFA01090070	Dichloroacetic acid 2,2-dichloroacetic acid
envipath:...973a75063d5a envipathM:...973a75063d5a envipath:...e7a7bf83ccb1 envipathM:...e7a7bf83ccb1	compound 0064007
CHEBI:36386 chebi:36386	dichloroacetic acid 2,2-dichloroacetic acid DICHLORO-ACETIC ACID Dichloressigsaeure Dichloroacetate bichloracetic acid dichloracetic acid
envipath:...9cc8344a3771 envipathM:...9cc8344a3771 envipath:...d402eb5e1232 envipathM:...d402eb5e1232	dicloroacetic acid
chebi:23694 chebi:23695 chebi:4502 chebi:49918 keggC:M_C11149 seedM:M_cpd08027	secondary/obsolete/fantasy identifier