2.0 2015-06-04 15:17:58 -0600 2015-09-17 16:25:05 -0600 ECMDB23792 M2MDB004342 Molybdoenzyme molybdenum cofactor A metal-containing Prosthetic group common to nearly all molybdoenzymes and is ubiquitous to all kingdoms of life. Moco-dependent enzymes play central roles in many biologically important processes such as purine and sulfur catabolism in mammals, anaerobic respiration in bacteria, and nitrate assimilation in plants. moco (dioxyo) Molybdenum cofactor Molybdenum cofactor (dioxyo) Molybdopterin Molybdopterin cofactor MoO2(OH)DTPP-MP Pterin molybdenum cofactor C10H16MoN5O8PS2 525.31 526.923197 {[(1R,10R,16R)-5-amino-7,13,13-trioxo-17-oxa-12,14-dithia-2,4,6,9-tetraaza-13-molybdatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-3(8),5,11(15)-trien-16-yl]methoxy}phosphonic acid [(1R,10R,16R)-5-amino-7,13,13-trioxo-17-oxa-12,14-dithia-2,4,6,9-tetraaza-13-molybdatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-3(8),5,11(15)-trien-16-yl]methoxyphosphonic acid 73508-07-3 O.O.[Mo++].[H]C1(COP(O)([O-])=O)OC2([H])NC3=C(NC2([H])C(S)=C1S)C([O-])=NC(=N)N3 InChI=1S/C10H14N5O6PS2.Mo.2H2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;2*1H2/q;+2;;/p-2 VUKICSJFFDCESC-UHFFFAOYSA-L logp -0.77 ALOGPS logs -1.54 ALOGPS solubility 1.51e+01 g/l ALOGPS logp -2 ChemAxon pka_strongest_acidic 1.32 ChemAxon pka_strongest_basic 0.58 ChemAxon iupac {[(1R,10R,16R)-5-amino-7,13,13-trioxo-17-oxa-12,14-dithia-2,4,6,9-tetraaza-13-molybdatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-3(8),5,11(15)-trien-16-yl]methoxy}phosphonic acid ChemAxon average_mass 525.31 ChemAxon mono_mass 526.923197 ChemAxon smiles O.O.[Mo++].[H]C1(COP(O)([O-])=O)OC2([H])NC3=C(NC2([H])C(S)=C1S)C([O-])=NC(=N)N3 ChemAxon formula C10H16MoN5O8PS2 ChemAxon inchi InChI=1S/C10H14N5O6PS2.Mo.2H2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;2*1H2/q;+2;;/p-2 ChemAxon inchikey VUKICSJFFDCESC-UHFFFAOYSA-L ChemAxon polar_surface_area 201.67 ChemAxon refractivity 99.85 ChemAxon polarizability 37.28 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1294519 Specdb::MsMs 1294520 Specdb::MsMs 1294521 Specdb::MsMs 1409179 Specdb::MsMs 1409180 Specdb::MsMs 1409181 C18237 Molybdopterin molybdenumtransferase P12281 MOEA_ECOLI moeA http://ecmdb.ca/proteins/P12281.xml Adenylated molybdopterin + Molybdate <> Molybdoenzyme molybdenum cofactor + Adenosine monophosphate + Water + Molybdoenzyme molybdenum cofactor R09735