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dichloroacetate

PropertiesImage
MNX_IDMNXM5126 Image of MNXM5126
referencechebi:28240
formulaC2HCl2O2
global charge-1
mol weight127.934
InChIKeyJXTHNDFMNIQAHM-UHFFFAOYSA-M
InChIInChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1
SMILESO=C([O-])C(Cl)Cl
MNX internals
InChI (mnx)InChI=1/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) Image of MNXM5126
SMILES (mnx)[CH:1]([C:2](=[O:5])[OH:6])([Cl:3])[Cl:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9010792
reactomeM:R-ALL-9010792
CHEBI:28240
chebi:28240
JXTHNDFMNIQAHM-UHFFFAOYSA-M
dichloroacetate
dichloracetate
dichloroacetate ion
dichloroacetic acid ion(1-)

metacyc.compound:CPD-9674
metacycM:CPD-9674
JXTHNDFMNIQAHM-UHFFFAOYSA-M
2,2-dichloroacetate
2,2-dichloroacetic acid
DCA

envipath:...e33b682d6a55
envipathM:...e33b682d6a55
sabiork.compound:13226
sabiorkM:13226
vmhM:M01691
vmhmetabolite:M01691
JXTHNDFMNIQAHM-UHFFFAOYSA-M
JXTHNDFMNIQAHM-UHFFFAOYSA-N
Dichloroacetate

seed.compound:cpd08027
seedM:cpd08027
JXTHNDFMNIQAHM-UHFFFAOYSA-M
Dichloroacetate
2,2-dichloroacetate
2,2-dichloroacetic acid
DCA
dichloroacetate
trichloroacetic acid

kegg.compound:C11149
keggC:C11149
JXTHNDFMNIQAHM-UHFFFAOYSA-N
Dichloroacetate
Dichloroacetic acid

lipidmaps:LMFA01090070
lipidmapsM:LMFA01090070
JXTHNDFMNIQAHM-UHFFFAOYSA-N
Dichloroacetic acid
2,2-dichloroacetic acid

envipath:...973a75063d5a
envipathM:...973a75063d5a
envipath:...e7a7bf83ccb1
envipathM:...e7a7bf83ccb1
JXTHNDFMNIQAHM-UHFFFAOYSA-M
compound 0064007

CHEBI:36386
chebi:36386
JXTHNDFMNIQAHM-UHFFFAOYSA-N
dichloroacetic acid
2,2-dichloroacetic acid
DICHLORO-ACETIC ACID
Dichloressigsaeure
Dichloroacetate
bichloracetic acid
dichloracetic acid

envipath:...9cc8344a3771
envipathM:...9cc8344a3771
envipath:...d402eb5e1232
envipathM:...d402eb5e1232
JXTHNDFMNIQAHM-UHFFFAOYSA-N
dicloroacetic acid

chebi:23694
chebi:23695
chebi:4502
chebi:49918
keggC:M_C11149
seedM:M_cpd08027
vmhM:M_M01691
secondary/obsolete/fantasy identifier