2.0 2012-05-31 14:30:44 -0600 2015-06-03 17:19:26 -0600 ECMDB20161 M2MDB001008 Inositol 1,2,3,5,6-pentakisphosphate Inositol 1,2,3,5,6-pentakisphosphate is a member of the chemical class known as Inositol Phosphates. These are compounds containing one or more phosphate groups attached to an inositol (or cyclohexanehexol) moiety. 1D-3-O-methyl-myo-inositol 1D-3-O-Methyl-myo-inositol 1D-Myo-inositol 1,2,3,4,5-pentakis(dihydrogen phosphate) 1D-myo-Inositol 1,2,3,4,5-pentakis(dihydrogen phosphoric acid) 1D-Myo-Inositol 1,2,3,4,5-pentakisphosphate 1D-myo-Inositol 1,2,3,4,5-pentakisphosphoric acid 1L-Myo-Inositol 1,2,3,4,5-pentakisphosphate 1l-myo-Inositol 1,2,3,4,5-pentakisphosphoric acid 3-O-methyl-myo-inositol 3-O-Methyl-myo-inositol D-Myo-Inositol 1,2,3,4,5-pentakisphosphate D-myo-Inositol 1,2,3,4,5-pentakisphosphoric acid Inositol 1,2,3,4,5-pentakisphosphate Inositol 1,2,3,4,5-pentakisphosphoric acid Inositol 1,2,3,5,6-pentakisphosphoric acid Insp5 L-Myo-Inositol 1,2,3,4,5-pentakisphosphate L-myo-Inositol 1,2,3,4,5-pentakisphosphoric acid Myo-Inositol 1,2,3,4,5-pentakisphosphate myo-Inositol 1,2,3,4,5-pentakisphosphoric acid C6H17O21P5 580.0554 579.895040166 {[(1S,3R,4S,6S)-2-hydroxy-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid [(1S,3R,4S,6S)-2-hydroxy-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxyphosphonic acid [H]C1(O)[C@]([H])(OP(O)(O)=O)[C@]([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@]1([H])OP(O)(O)=O InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1?,2-,3+,4-,5-,6?/m0/s1 CTPQAXVNYGZUAJ-LXOASSSBSA-N Cytoplasm Periplasm logp -0.14 ALOGPS logs -1.64 ALOGPS solubility 1.34e+01 g/l ALOGPS logp -4.4 ChemAxon pka_strongest_acidic 0.19 ChemAxon iupac {[(1S,3R,4S,6S)-2-hydroxy-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid ChemAxon average_mass 580.0554 ChemAxon mono_mass 579.895040166 ChemAxon smiles [H]C1(O)[C@]([H])(OP(O)(O)=O)[C@]([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@]1([H])OP(O)(O)=O ChemAxon formula C6H17O21P5 ChemAxon inchi InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1?,2-,3+,4-,5-,6?/m0/s1 ChemAxon inchikey CTPQAXVNYGZUAJ-LXOASSSBSA-N ChemAxon polar_surface_area 354.03 ChemAxon refractivity 90.14 ChemAxon polarizability 38.4 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge -10 ChemAxon formal_charge 0 ChemAxon Inositol phosphate metabolism ec00562 Specdb::CMs 1083315 Specdb::NmrOneD 306451 Specdb::NmrOneD 306452 Specdb::NmrOneD 306453 Specdb::NmrOneD 306454 Specdb::NmrOneD 306455 Specdb::NmrOneD 306456 Specdb::NmrOneD 306457 Specdb::NmrOneD 306458 Specdb::NmrOneD 306459 Specdb::NmrOneD 306460 Specdb::NmrOneD 306461 Specdb::NmrOneD 306462 Specdb::NmrOneD 306463 Specdb::NmrOneD 306464 Specdb::NmrOneD 306465 Specdb::NmrOneD 306466 Specdb::NmrOneD 306467 Specdb::NmrOneD 306468 Specdb::NmrOneD 306469 Specdb::NmrOneD 306470 Specdb::MsMs 28382 Specdb::MsMs 28383 Specdb::MsMs 28384 Specdb::MsMs 34940 Specdb::MsMs 34941 Specdb::MsMs 34942 9548598 7827521 C04579 18345 CPD-1701 Kanehisa, 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. 22080510 Periplasmic AppA protein P07102 PPA_ECOLI appA http://ecmdb.ca/proteins/P07102.xml