2.0 2015-06-04 15:16:36 -0600 2015-07-23 12:07:06 -0600 ECMDB23785 M2MDB004301 Enzyme N6-(dihydrolipoyl)lysine (e)-3-chloro-2-Propen-1-ol (e)-3-Chloroallyl alcohol trans-3-Chloroallyl alcohol C3H5ClO 92.524 92.002892489 (2E)-3-chloroprop-2-en-1-ol trans-3-chloroallyl alcohol OC\C=C\Cl InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2/b2-1+ HJGHXDNIPAWLLE-OWOJBTEDSA-N logp 0.52 ALOGPS logs 0.26 ALOGPS solubility 1.67e+02 g/l ALOGPS logp 0.53 ChemAxon pka_strongest_acidic 15.58 ChemAxon pka_strongest_basic -2.5 ChemAxon iupac (2E)-3-chloroprop-2-en-1-ol ChemAxon average_mass 92.524 ChemAxon mono_mass 92.002892489 ChemAxon smiles OC\C=C\Cl ChemAxon formula C3H5ClO ChemAxon inchi InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2/b2-1+ ChemAxon inchikey HJGHXDNIPAWLLE-OWOJBTEDSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 22.23 ChemAxon polarizability 8.55 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Citrate cycle (TCA cycle) ec00020 Glycolysis / Gluconeogenesis ec00010 Pyruvate metabolism ec00620 Lysine degradation ec00310 Microbial metabolism in diverse environments ec01120 Metabolic pathways eco01100 Specdb::CMs 36895 Specdb::CMs 48267 Specdb::CMs 165450 Specdb::NmrOneD 273878 Specdb::NmrOneD 273879 Specdb::NmrOneD 273880 Specdb::NmrOneD 273881 Specdb::NmrOneD 273882 Specdb::NmrOneD 273883 Specdb::NmrOneD 273884 Specdb::NmrOneD 273885 Specdb::NmrOneD 273886 Specdb::NmrOneD 273887 Specdb::NmrOneD 273888 Specdb::NmrOneD 273889 Specdb::NmrOneD 273890 Specdb::NmrOneD 273891 Specdb::NmrOneD 273892 Specdb::NmrOneD 273893 Specdb::NmrOneD 273894 Specdb::NmrOneD 273895 Specdb::NmrOneD 273896 Specdb::NmrOneD 273897 Specdb::MsMs 25940 Specdb::MsMs 25941 Specdb::MsMs 25942 Specdb::MsMs 32498 Specdb::MsMs 32499 Specdb::MsMs 32500 Specdb::MsMs 3225757 Specdb::MsMs 3225758 Specdb::MsMs 3225759 Specdb::MsMs 3225760 Specdb::MsMs 3225761 Specdb::MsMs 3225762 C15973 Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex P06959 ODP2_ECOLI aceF http://ecmdb.ca/proteins/P06959.xml Dihydrolipoyl dehydrogenase P0A9P0 DLDH_ECOLI lpdA http://ecmdb.ca/proteins/P0A9P0.xml Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex P0AFG6 ODO2_ECOLI sucB http://ecmdb.ca/proteins/P0AFG6.xml Succinyl-CoA + Enzyme N6-(dihydrolipoyl)lysine + Enzyme N6-(dihydrolipoyl)lysine <> Coenzyme A + [Dihydrolipoyllysine-residue succinyltransferase] S-succinyldihydrolipoyllysine R02570 Acetyl-CoA + Enzyme N6-(dihydrolipoyl)lysine + Enzyme N6-(dihydrolipoyl)lysine <> Coenzyme A + [Dihydrolipoyllysine-residue acetyltransferase] S-acetyldihydrolipoyllysine R02569 Succinyl-CoA + Enzyme N6-(dihydrolipoyl)lysine <> Coenzyme A + [Dihydrolipoyllysine-residue succinyltransferase] S-succinyldihydrolipoyllysine