2.0 2012-08-09 09:25:13 -0600 2015-06-03 17:21:41 -0600 ECMDB21515 M2MDB001910 D-Myo-inositol 1,2,4,5,6-pentakisphosphate myo-Inositol 1,2,4,5,6-pentakisphosphate (Ins(1,2,4,5,6)P(5)) is an inositol polyphosphate. Ins(1,2,4,5,6)P5 and their close metabolic relatives are amongst the more abundant intracellular inositol polyphosphates and are important intermediates in inositol metabolism. 1D-Myo-inositol 1,2,4,5,6-pentakis(dihydrogen phosphate) 1D-myo-Inositol 1,2,4,5,6-pentakis(dihydrogen phosphoric acid) 1D-Myo-Inositol 1,2,4,5,6-pentakisphosphate 1D-myo-Inositol 1,2,4,5,6-pentakisphosphoric acid 1D-Myo-Inositol 1,3,4,5,6-pentakisphosphate 1D-myo-Inositol 1,3,4,5,6-pentakisphosphoric acid D-Myo-Inositol 1,2,4,5,6-pentakisphosphate D-myo-Inositol 1,2,4,5,6-pentakisphosphoric acid D-Myo-inositol 1,3,4,5,6-pentakisphosphate D-myo-Inositol 1,3,4,5,6-pentakisphosphoric acid Inositol 1,2,4,5,6-pentakisphosphate Inositol 1,2,4,5,6-pentakisphosphoric acid Inositol 1,3,4,5,6-pentakisphosphate Inositol 1,3,4,5,6-pentakisphosphoric acid Inositol 1,3,4,5,6-pentaphosphate Inositol 1,3,4,5,6-pentaphosphoric acid Inositol pentaphosphate Inositol pentaphosphoric acid Myo-Inositol 1,2,4,5,6-pentakisphosphate myo-Inositol 1,2,4,5,6-pentakisphosphoric acid Myo-Inositol 1,3,4,5,6-pentakis(phosphate) myo-Inositol 1,3,4,5,6-pentakis(phosphoric acid) Myo-Inositol 1,3,4,5,6-pentaphosphate myo-Inositol 1,3,4,5,6-pentaphosphoric acid Myo-inositol pentakisphosphate myo-Inositol pentakisphosphoric acid C6H17O21P5 580.0554 579.895040166 {[(1S,3R,4S,6R)-2-hydroxy-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid [(1S,3R,4S,6R)-2-hydroxy-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxyphosphonic acid 20298-95-7 [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? CTPQAXVNYGZUAJ-UYSNGIAKSA-N Solid Cytoplasm 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,6R)-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? ChemAxon inchikey CTPQAXVNYGZUAJ-UYSNGIAKSA-N ChemAxon polar_surface_area 354.03 ChemAxon refractivity 90.14 ChemAxon polarizability 38.52 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge -10 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1084082 Specdb::EiMs 5198 Specdb::NmrOneD 247088 Specdb::NmrOneD 247089 Specdb::NmrOneD 247090 Specdb::NmrOneD 247091 Specdb::NmrOneD 247092 Specdb::NmrOneD 247093 Specdb::NmrOneD 247094 Specdb::NmrOneD 247095 Specdb::NmrOneD 247096 Specdb::NmrOneD 247097 Specdb::NmrOneD 247098 Specdb::NmrOneD 247099 Specdb::NmrOneD 247100 Specdb::NmrOneD 247101 Specdb::NmrOneD 247102 Specdb::NmrOneD 247103 Specdb::NmrOneD 247104 Specdb::NmrOneD 247105 Specdb::NmrOneD 247106 Specdb::NmrOneD 247107 Specdb::MsMs 28820 Specdb::MsMs 28821 Specdb::MsMs 28822 Specdb::MsMs 35378 Specdb::MsMs 35379 Specdb::MsMs 35380 HMDB03529 439468 388571 C04563 16507 van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. 17765195