2.0 2012-08-09 09:25:16 -0600 2015-06-03 17:21:42 -0600 ECMDB21521 M2MDB001916 Demethylmenaquinone-7 Demethylmenaquinone-7 is a member of the chemical class known as Sesquaterpenes. Menaquinones and demethaquinones are isoprenoid quinones of the naphthalene series, and are constituents of bacterial plasma membranes, where they play important roles in electron transfer and oxidative phosphorylation. Menaquinones and demethaquinones are named MK-n or DMK-n, respectively, where the n refers to the number of prenyl units present in the side chain Demethylmenaquinone-7 is involved in cofactor (menaquinone and ubiquinone) biosynthesis. Demethylquinones are converted to menaquinones via the enzyme ubiE. DMK-7 C45H62O2 634.9726 634.474981228 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-1,4-dihydronaphthalene-1,4-dione 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]naphthalene-1,4-dione [H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=CC(=O)C2=CC=CC=C2C1=O)=C(\C)CCC=C(C)C InChI=1S/C45H62O2/c1-34(2)17-11-18-35(3)19-12-20-36(4)21-13-22-37(5)23-14-24-38(6)25-15-26-39(7)27-16-28-40(8)31-32-41-33-44(46)42-29-9-10-30-43(42)45(41)47/h9-10,17,19,21,23,25,27,29-31,33H,11-16,18,20,22,24,26,28,32H2,1-8H3/b35-19+,36-21+,37-23+,38-25+,39-27+,40-31+ GJIGVPBRJFOUGD-SSQLMYNASA-N Membrane logp 9.62 ALOGPS logs -6.46 ALOGPS solubility 2.19e-04 g/l ALOGPS logp 13.06 ChemAxon pka_strongest_acidic 12.48 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-1,4-dihydronaphthalene-1,4-dione ChemAxon average_mass 634.9726 ChemAxon mono_mass 634.474981228 ChemAxon smiles [H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=CC(=O)C2=CC=CC=C2C1=O)=C(\C)CCC=C(C)C ChemAxon formula C45H62O2 ChemAxon inchi InChI=1S/C45H62O2/c1-34(2)17-11-18-35(3)19-12-20-36(4)21-13-22-37(5)23-14-24-38(6)25-15-26-39(7)27-16-28-40(8)31-32-41-33-44(46)42-29-9-10-30-43(42)45(41)47/h9-10,17,19,21,23,25,27,29-31,33H,11-16,18,20,22,24,26,28,32H2,1-8H3/b35-19+,36-21+,37-23+,38-25+,39-27+,40-31+ ChemAxon inchikey GJIGVPBRJFOUGD-SSQLMYNASA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 212.56 ChemAxon polarizability 80.82 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 5137 Specdb::NmrOneD 262828 Specdb::NmrOneD 262829 Specdb::NmrOneD 262830 Specdb::NmrOneD 262831 Specdb::NmrOneD 262832 Specdb::NmrOneD 262833 Specdb::NmrOneD 262834 Specdb::NmrOneD 262835 Specdb::NmrOneD 262836 Specdb::NmrOneD 262837 Specdb::NmrOneD 262838 Specdb::NmrOneD 262839 Specdb::NmrOneD 262840 Specdb::NmrOneD 262841 Specdb::NmrOneD 262842 Specdb::NmrOneD 262843 Specdb::NmrOneD 262844 Specdb::NmrOneD 262845 Specdb::NmrOneD 262846 Specdb::NmrOneD 262847 Specdb::MsMs 36689 Specdb::MsMs 36690 Specdb::MsMs 36691 Specdb::MsMs 39137 Specdb::MsMs 39138 Specdb::MsMs 39139 25244494 Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., Goodacre, R. (2008). "Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites." Anal Chem 80:2939-2948. 18331064 Ubiquinone/menaquinone biosynthesis methyltransferase ubiE P0A887 UBIE_ECOLI ubiE http://ecmdb.ca/proteins/P0A887.xml