2.02012-05-31 14:25:22 -06002015-06-03 17:19:13 -0600ECMDB20060M2MDB0009092,5-Dichloro-4-oxohex-2-enedioate2,5-dichloro-4-oxohex-2-enedioate is a member of the chemical class known as Medium-chain Keto Acids and Derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. 2,5-Dichloro-4-oxohex-2-enedioic acidC6H4Cl2O5226.999225.943578652(2E)-2,5-dichloro-4-oxohex-2-enedioic acidC6H4cl2O5[H]\C(=C(/Cl)C(O)=O)C(=O)C(Cl)C(O)=OInChI=1S/C6H4Cl2O5/c7-2(5(10)11)1-3(9)4(8)6(12)13/h1,4H,(H,10,11)(H,12,13)/b2-1+PLPVRWUZGSFJJB-OWOJBTEDSA-NOuter membraneInner membranelogp1.05logs-2.58solubility6.02e-01 g/llogp1.21pka_strongest_acidic1.91pka_strongest_basic-8.4iupac(2E)-2,5-dichloro-4-oxohex-2-enedioic acidaverage_mass226.999mono_mass225.943578652smiles[H]\C(=C(/Cl)C(O)=O)C(=O)C(Cl)C(O)=OformulaC6H4Cl2O5inchiInChI=1S/C6H4Cl2O5/c7-2(5(10)11)1-3(9)4(8)6(12)13/h1,4H,(H,10,11)(H,12,13)/b2-1+inchikeyPLPVRWUZGSFJJB-OWOJBTEDSA-Npolar_surface_area91.67refractivity43.68polarizability17.38rotatable_bond_count4acceptor_count5donor_count2physiological_charge-2formal_charge0gamma-Hexachlorocyclohexane degradationec00361Microbial metabolism in diverse environmentsec01120Specdb::CMs33572Specdb::CMs48155Specdb::CMs134645Specdb::CMs142379Specdb::NmrOneD251988Specdb::NmrOneD251989Specdb::NmrOneD251990Specdb::NmrOneD251991Specdb::NmrOneD251992Specdb::NmrOneD251993Specdb::NmrOneD251994Specdb::NmrOneD251995Specdb::NmrOneD251996Specdb::NmrOneD251997Specdb::NmrOneD251998Specdb::NmrOneD251999Specdb::NmrOneD252000Specdb::NmrOneD252001Specdb::NmrOneD252002Specdb::NmrOneD252003Specdb::NmrOneD252004Specdb::NmrOneD252005Specdb::NmrOneD252006Specdb::NmrOneD252007Specdb::MsMs28763Specdb::MsMs28764Specdb::MsMs28765Specdb::MsMs35321Specdb::MsMs35322Specdb::MsMs3532352821724445367C1283519373Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114.22080510Putative carboxymethylenebutenolidaseP56262DLHH_ECOLIysgAhttp://ecmdb.ca/proteins/P56262.xml2,5-Dichloro-carboxymethylenebut-2-en-4-olide + Water <> 2,5-Dichloro-4-oxohex-2-enedioateR06835