2.02012-05-31 13:59:25 -06002015-09-17 15:41:17 -0600ECMDB03502M2MDB000507Myo-inositol hexakisphosphateMyo-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-hexakisphosphate1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphoric acid1D-Myo-Inositol hexakisphosphate1D-myo-Inositol hexakisphosphoric acid<i>myo</i>-Inositol 1,2,3,4,5,6-hexakisphosphate<i>myo</i>-inositol hexakisphosphateD-<i>myo</i>-Inositol 1,2,3,4,5,6-hexakisphosphateD-Myo-Inositol 1,2,3,4,5,6-hexakisphosphateD-Myo-inositol 1,2,3,4,5,6-hexakisphosphoric acidD-myo-Inositol 1,2,3,4,5,6-hexakisphosphoric acidInositol 1,2,3,4,5,6-hexakisphosphateInositol 1,2,3,4,5,6-hexakisphosphoric acidInositol hexaphosphateInositol hexaphosphoric acidInsP6InsP<sub>6</sub>IP6Myo-Inositol 1,2,3,4,5,6-hexakisphosphateMyo-inositol 1,2,3,4,5,6-hexakisphosphoric acidmyo-Inositol 1,2,3,4,5,6-hexakisphosphoric acidMyo-Inositol hexakisphosphatemyo-Inositol hexakisphosphoric acidMyo-inositol hexakisphosphoric acidPhytatePhytic acidC6H18O24P6660.0353659.861370576{[2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphonic acidphytic acid83-86-3OP(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)=OInChI=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-NSolidExtra-organismPeriplasmlogp0.11logs-1.68solubility1.37e+01 g/lmelting_point< 25 oClogp-4.5pka_strongest_acidic0.14iupac{[2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphonic acidaverage_mass660.0353mono_mass659.861370576smilesOP(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)=OformulaC6H18O24P6inchiInChI=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)inchikeyIMQLKJBTEOYOSI-UHFFFAOYSA-Npolar_surface_area400.56refractivity101.01polarizability42.71rotatable_bond_count12acceptor_count18donor_count12physiological_charge-12formal_charge0Inositol phosphate metabolismec00562Collection of Reactions without pathwaysPW001891MetabolicSpecdb::CMs20873Specdb::NmrOneD315701Specdb::NmrOneD315702Specdb::NmrOneD315703Specdb::NmrOneD315704Specdb::NmrOneD315705Specdb::NmrOneD315706Specdb::NmrOneD315707Specdb::NmrOneD315708Specdb::NmrOneD315709Specdb::NmrOneD315710Specdb::NmrOneD315711Specdb::NmrOneD315712Specdb::NmrOneD315713Specdb::NmrOneD315714Specdb::NmrOneD315715Specdb::NmrOneD315716Specdb::NmrOneD315717Specdb::NmrOneD315718Specdb::NmrOneD315719Specdb::NmrOneD315720Specdb::MsMs8411Specdb::MsMs8412Specdb::MsMs8413Specdb::MsMs15083Specdb::MsMs15084Specdb::MsMs15085HMDB03502890866C0120417401MI-HEXAKISPHOSPHATEIHPPhytateKeseler, 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-D590.21097882Kanehisa, 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-D114.22080510van 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 370:17-25.17765195Mitsuhashi 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 rhttp://hmdb.ca/system/metabolites/msds/000/003/083/original/HMDB03502.pdf?1358461425Periplasmic AppA proteinP07102PPA_ECOLIappAhttp://ecmdb.ca/proteins/P07102.xml6 Water + Myo-inositol hexakisphosphate > Inositol +6 PhosphateMyo-inositol hexakisphosphate + Water <> 1-Myo-inositol 1,2,3,4,5-pentakisphosphate + PhosphateR03372RXN-10940Myo-inositol hexakisphosphate + Water > 1-Myo-inositol 1,2,3,4,5-pentakisphosphate + PhosphateRXN-10940Myo-inositol hexakisphosphate + Water > D-<i>myo</i>-inositol (1,2,4,5,6)-pentakisphosphate + PhosphateRXN0-1001Myo-inositol hexakisphosphate + Water > 1D-myo-inositol 1,2,3,5,6-pentakisphosphate + Inorganic phosphateMyo-inositol hexakisphosphate + Water + Myo-inositol hexakisphosphate > 1-Myo-inositol 1,2,3,4,5-pentakisphosphate + PhosphatePW_R005388