2.0 2012-05-31 14:05:13 -0600 2015-06-03 15:54:44 -0600 ECMDB04108 M2MDB000613 1-Myo-inositol 1,2,3,4,5-pentakisphosphate 1-myo-inositol 1,2,3,4,5-pentakisphosphate is a member of the chemical class known as Inositol Phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. 1-myo-inositol (1,2,3,4,5)-pentakisphosphate 1-Myo-inositol (1,2,3,4,5)-pentakisphosphate 1-Myo-inositol (1,2,3,4,5)-pentakisphosphoric acid 1-myo-Inositol (1,2,3,4,5)-pentakisphosphoric acid 1-myo-Inositol 1,2,3,4,5-pentakisphosphoric acid 1D-myo-inositol (1,2,3,4,5)-pentakisphosphate 1D-Myo-inositol (1,2,3,4,5)-pentakisphosphate 1D-Myo-inositol (1,2,3,4,5)-pentakisphosphoric acid 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)-pentakisphosphate 1l-Myo-inositol (1,2,3,4,5)-pentakisphosphoric acid 1l-myo-Inositol (1,2,3,4,5)-pentakisphosphoric acid myo-inositol (1,2,3,4,5)-pentakisphosphate D-Myo-inositol (1,2,3,4,5)-pentakisphosphate D-myo-Inositol (1,2,3,4,5)-pentakisphosphoric acid I(1,2,3,4,5)P5 I(1,2,3,4,5)P5 Inositol (1,2,3,4,5)-pentakisphosphate Inositol (1,2,3,4,5)-pentakisphosphate Inositol (1,2,3,4,5)-pentakisphosphoric acid Ins(1,2,3,4,5)P5 Ins(1,2,3,4,5)P5 Mi-pentakisphosphate Mi-pentakisphosphoric acid Myo-inositol (1,2,3,4,5)-pentakisphosphate Myo-inositol (1,2,3,4,5)-pentakisphosphoric acid myo-Inositol (1,2,3,4,5)-pentakisphosphoric acid C6H7O21P5 569.976 569.816789846 (1S,3R,4S,6S)-2-hydroxy-3,4,5,6-tetrakis(phosphonatooxy)cyclohexyl phosphate (1S,3R,4S,6S)-2-hydroxy-3,4,5,6-tetrakis(phosphonatooxy)cyclohexyl phosphate [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)/p-10/t1?,2-,3+,4-,5-,6?/m0/s1 CTPQAXVNYGZUAJ-LXOASSSBSA-D Cytoplasm Periplasm logp 0.44 ALOGPS logs -1.26 ALOGPS solubility 4.15e+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(phosphonatooxy)cyclohexyl phosphate ChemAxon average_mass 569.976 ChemAxon mono_mass 569.816789846 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 C6H7O21P5 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)/p-10/t1?,2-,3+,4-,5-,6?/m0/s1 ChemAxon inchikey CTPQAXVNYGZUAJ-LXOASSSBSA-D ChemAxon polar_surface_area 382.33 ChemAxon refractivity 78.92 ChemAxon polarizability 35.61 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 16 ChemAxon donor_count 1 ChemAxon physiological_charge -10 ChemAxon formal_charge -10 ChemAxon Inositol phosphate metabolism ec00562 Collection of Reactions without pathways PW001891 Metabolic Specdb::NmrOneD 275478 Specdb::NmrOneD 275479 Specdb::NmrOneD 275480 Specdb::NmrOneD 275481 Specdb::NmrOneD 275482 Specdb::NmrOneD 275483 Specdb::NmrOneD 275484 Specdb::NmrOneD 275485 Specdb::NmrOneD 275486 Specdb::NmrOneD 275487 Specdb::NmrOneD 275488 Specdb::NmrOneD 275489 Specdb::NmrOneD 275490 Specdb::NmrOneD 275491 Specdb::NmrOneD 275492 Specdb::NmrOneD 275493 Specdb::NmrOneD 275494 Specdb::NmrOneD 275495 Specdb::NmrOneD 275496 Specdb::NmrOneD 275497 Specdb::MsMs 28307 Specdb::MsMs 28308 Specdb::MsMs 28309 Specdb::MsMs 34865 Specdb::MsMs 34866 Specdb::MsMs 34867 25246002 C04579 18345 MI-PENTAKISPHOSPHATE 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 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 Periplasmic AppA protein P07102 PPA_ECOLI appA http://ecmdb.ca/proteins/P07102.xml Myo-inositol hexakisphosphate + Water <> 1-Myo-inositol 1,2,3,4,5-pentakisphosphate + Phosphate R03372 RXN-10940 Myo-inositol hexakisphosphate + Water > 1-Myo-inositol 1,2,3,4,5-pentakisphosphate + Phosphate RXN-10940 Myo-inositol hexakisphosphate + Water + Myo-inositol hexakisphosphate > 1-Myo-inositol 1,2,3,4,5-pentakisphosphate + Phosphate PW_R005388