2.0 2012-05-31 13:59:25 -0600 2015-09-17 15:41:17 -0600 ECMDB03502 M2MDB000507 Myo-inositol hexakisphosphate Myo-Inositol hexakisphosphate is an intermediate in inositol phosphate metabolism. It can be generated from D-myo-Inositol 1,3,4,5,6-pentakisphosphate via the enzyme inositol-pentakisphosphate 2-kinase (EC:2.7.1.158). Myo-Inositol hexakisphosphate is also known as phytic acid. It can be used clinically as a complexing agent for removal of traces of heavy metal ions. It acts also as a hypocalcemic agent. Phytic acid is a strong chelator of important minerals such as calcium, magnesium, iron and zinc. 1D-Myo-Inositol 1,2,3,4,5,6-hexakisphosphate 1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphoric acid 1D-Myo-Inositol hexakisphosphate 1D-myo-Inositol hexakisphosphoric acid myo-Inositol 1,2,3,4,5,6-hexakisphosphate myo-inositol hexakisphosphate D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate D-Myo-Inositol 1,2,3,4,5,6-hexakisphosphate D-Myo-inositol 1,2,3,4,5,6-hexakisphosphoric acid D-myo-Inositol 1,2,3,4,5,6-hexakisphosphoric acid Inositol 1,2,3,4,5,6-hexakisphosphate Inositol 1,2,3,4,5,6-hexakisphosphoric acid Inositol hexaphosphate Inositol hexaphosphoric acid InsP6 InsP6 IP6 Myo-Inositol 1,2,3,4,5,6-hexakisphosphate Myo-inositol 1,2,3,4,5,6-hexakisphosphoric acid myo-Inositol 1,2,3,4,5,6-hexakisphosphoric acid Myo-Inositol hexakisphosphate myo-Inositol hexakisphosphoric acid Myo-inositol hexakisphosphoric acid Phytate Phytic acid C6H18O24P6 660.0353 659.861370576 {[2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid phytic acid 83-86-3 OP(O)(=O)OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24) IMQLKJBTEOYOSI-UHFFFAOYSA-N Solid Extra-organism Periplasm logp 0.11 ALOGPS logs -1.68 ALOGPS solubility 1.37e+01 g/l ALOGPS melting_point < 25 oC logp -4.5 ChemAxon pka_strongest_acidic 0.14 ChemAxon iupac {[2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid ChemAxon average_mass 660.0353 ChemAxon mono_mass 659.861370576 ChemAxon smiles OP(O)(=O)OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O ChemAxon formula C6H18O24P6 ChemAxon inchi InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24) ChemAxon inchikey IMQLKJBTEOYOSI-UHFFFAOYSA-N ChemAxon polar_surface_area 400.56 ChemAxon refractivity 101.01 ChemAxon polarizability 42.71 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 18 ChemAxon donor_count 12 ChemAxon physiological_charge -12 ChemAxon formal_charge 0 ChemAxon Inositol phosphate metabolism ec00562 Collection of Reactions without pathways PW001891 Metabolic Specdb::CMs 20873 Specdb::NmrOneD 315701 Specdb::NmrOneD 315702 Specdb::NmrOneD 315703 Specdb::NmrOneD 315704 Specdb::NmrOneD 315705 Specdb::NmrOneD 315706 Specdb::NmrOneD 315707 Specdb::NmrOneD 315708 Specdb::NmrOneD 315709 Specdb::NmrOneD 315710 Specdb::NmrOneD 315711 Specdb::NmrOneD 315712 Specdb::NmrOneD 315713 Specdb::NmrOneD 315714 Specdb::NmrOneD 315715 Specdb::NmrOneD 315716 Specdb::NmrOneD 315717 Specdb::NmrOneD 315718 Specdb::NmrOneD 315719 Specdb::NmrOneD 315720 Specdb::MsMs 8411 Specdb::MsMs 8412 Specdb::MsMs 8413 Specdb::MsMs 15083 Specdb::MsMs 15084 Specdb::MsMs 15085 HMDB03502 890 866 C01204 17401 MI-HEXAKISPHOSPHATE IHP Phytate Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. 21097882 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 Mitsuhashi Naoto; Ohnishi Miwa; Sekiguchi Yoko; Kwon Yong-Uk; Chang Young-Tae; Chung Sung-Kee; Inoue Yoshinori; Reid Robert J; Yagisawa Hitoshi; Mimura Tetsuro Phytic acid synthesis and vacuolar accumulation in suspension-cultured cells of Catharanthus r http://hmdb.ca/system/metabolites/msds/000/003/083/original/HMDB03502.pdf?1358461425 Periplasmic AppA protein P07102 PPA_ECOLI appA http://ecmdb.ca/proteins/P07102.xml 6 Water + Myo-inositol hexakisphosphate > Inositol +6 Phosphate 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 > D-myo-inositol (1,2,4,5,6)-pentakisphosphate + Phosphate RXN0-1001 Myo-inositol hexakisphosphate + Water > 1D-myo-inositol 1,2,3,5,6-pentakisphosphate + Inorganic phosphate Myo-inositol hexakisphosphate + Water + Myo-inositol hexakisphosphate > 1-Myo-inositol 1,2,3,4,5-pentakisphosphate + Phosphate PW_R005388