2.0 2015-06-04 15:17:29 -0600 2015-09-14 16:46:21 -0600 ECMDB23790 M2MDB004326 L-Alanyl-tRNA NULL Man1,6BP Mannose-1,6-bisphosphate Mannose-1,6-bisphosphate, (a-D)-isomer Mannose-1,6-bisphosphate, (alpha-D)-isomer Mannose-1,6-bisphosphate, (L)-isomer Mannose-1,6-bisphosphate, (α-D)-isomer Mannose-1,6-bisphosphoric acid Mannose-1,6-bisphosphoric acid, (a-D)-isomer Mannose-1,6-bisphosphoric acid, (alpha-D)-isomer Mannose-1,6-bisphosphoric acid, (L)-isomer Mannose-1,6-bisphosphoric acid, (α-D)-isomer C6H14O12P2 340.114 339.996049887 {[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxy)oxan-2-yl]methoxy}phosphonic acid [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxy)oxan-2-yl]methoxyphosphonic acid O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H](OP(O)(O)=O)[C@H]1O InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5+,6-/m1/s1 RWHOZGRAXYWRNX-RWOPYEJCSA-N logp -1.65 ALOGPS logs -1.33 ALOGPS solubility 1.60e+01 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 0.89 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac {[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxy)oxan-2-yl]methoxy}phosphonic acid ChemAxon average_mass 340.114 ChemAxon mono_mass 339.996049887 ChemAxon smiles O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H](OP(O)(O)=O)[C@H]1O ChemAxon formula C6H14O12P2 ChemAxon inchi InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5+,6-/m1/s1 ChemAxon inchikey RWHOZGRAXYWRNX-RWOPYEJCSA-N ChemAxon polar_surface_area 203.44 ChemAxon refractivity 57.67 ChemAxon polarizability 24.81 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Aminoacyl-tRNA biosynthesis ec00970 Specdb::CMs 1083776 Specdb::NmrOneD 279778 Specdb::NmrOneD 279779 Specdb::NmrOneD 279780 Specdb::NmrOneD 279781 Specdb::NmrOneD 279782 Specdb::NmrOneD 279783 Specdb::NmrOneD 279784 Specdb::NmrOneD 279785 Specdb::NmrOneD 279786 Specdb::NmrOneD 279787 Specdb::NmrOneD 279788 Specdb::NmrOneD 279789 Specdb::NmrOneD 279790 Specdb::NmrOneD 279791 Specdb::NmrOneD 279792 Specdb::NmrOneD 279793 Specdb::NmrOneD 279794 Specdb::NmrOneD 279795 Specdb::NmrOneD 279796 Specdb::NmrOneD 279797 Specdb::MsMs 24023 Specdb::MsMs 24024 Specdb::MsMs 24025 Specdb::MsMs 30821 Specdb::MsMs 30822 Specdb::MsMs 30823 C00886 Alanyl-tRNA synthetase P00957 SYA_ECOLI alaS http://ecmdb.ca/proteins/P00957.xml Adenosine triphosphate + L-Alanine + tRNA(Ala) + tRNA(Ala) <> Adenosine monophosphate + Pyrophosphate + L-Alanyl-tRNA + L-Alanyl-tRNA R03038 Adenosine triphosphate + L-Alanine + tRNA(Ala) <> Adenosine monophosphate + Pyrophosphate + L-Alanyl-tRNA Adenosine triphosphate + L-Alanine + tRNA(Ala) <> Adenosine monophosphate + Pyrophosphate + L-Alanyl-tRNA