2.02012-05-31 14:05:13 -06002015-06-03 15:54:44 -0600ECMDB04108M2MDB0006131-Myo-inositol 1,2,3,4,5-pentakisphosphate1-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-<i>myo</i>-inositol (1,2,3,4,5)-penta<i>kis</i>phosphate1-Myo-inositol (1,2,3,4,5)-pentakisphosphate1-Myo-inositol (1,2,3,4,5)-pentakisphosphoric acid1-myo-Inositol (1,2,3,4,5)-pentakisphosphoric acid1-myo-Inositol 1,2,3,4,5-pentakisphosphoric acid1D-<i>myo</i>-inositol (1,2,3,4,5)-penta<i>kis</i>phosphate1D-Myo-inositol (1,2,3,4,5)-pentakisphosphate1D-Myo-inositol (1,2,3,4,5)-pentakisphosphoric acid1D-myo-Inositol (1,2,3,4,5)-pentakisphosphoric acid1L-<i>myo</i>-inositol (1,2,3,4,5)-penta<i>kis</i>phosphate1L-Myo-inositol (1,2,3,4,5)-pentakisphosphate1l-Myo-inositol (1,2,3,4,5)-pentakisphosphoric acid1l-myo-Inositol (1,2,3,4,5)-pentakisphosphoric acid<i>myo</i>-inositol (1,2,3,4,5)-penta<i>kis</i>phosphateD-Myo-inositol (1,2,3,4,5)-pentakisphosphateD-myo-Inositol (1,2,3,4,5)-pentakisphosphoric acidI(1,2,3,4,5)P5I(1,2,3,4,5)P<sub>5</sub>Inositol (1,2,3,4,5)-penta<i>kis</i>phosphateInositol (1,2,3,4,5)-pentakisphosphateInositol (1,2,3,4,5)-pentakisphosphoric acidIns(1,2,3,4,5)P5Ins(1,2,3,4,5)P<sub>5</sub>Mi-pentakisphosphateMi-pentakisphosphoric acidMyo-inositol (1,2,3,4,5)-pentakisphosphateMyo-inositol (1,2,3,4,5)-pentakisphosphoric acidmyo-Inositol (1,2,3,4,5)-pentakisphosphoric acidC6H7O21P5569.976569.816789846(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-])=OInChI=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/s1CTPQAXVNYGZUAJ-LXOASSSBSA-DCytoplasmPeriplasmlogp0.44logs-1.26solubility4.15e+01 g/llogp-4.4pka_strongest_acidic0.19iupac(1S,3R,4S,6S)-2-hydroxy-3,4,5,6-tetrakis(phosphonatooxy)cyclohexyl phosphateaverage_mass569.976mono_mass569.816789846smiles[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-])=OformulaC6H7O21P5inchiInChI=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/s1inchikeyCTPQAXVNYGZUAJ-LXOASSSBSA-Dpolar_surface_area382.33refractivity78.92polarizability35.61rotatable_bond_count10acceptor_count16donor_count1physiological_charge-10formal_charge-10Inositol phosphate metabolismec00562Collection of Reactions without pathwaysPW001891MetabolicSpecdb::NmrOneD275478Specdb::NmrOneD275479Specdb::NmrOneD275480Specdb::NmrOneD275481Specdb::NmrOneD275482Specdb::NmrOneD275483Specdb::NmrOneD275484Specdb::NmrOneD275485Specdb::NmrOneD275486Specdb::NmrOneD275487Specdb::NmrOneD275488Specdb::NmrOneD275489Specdb::NmrOneD275490Specdb::NmrOneD275491Specdb::NmrOneD275492Specdb::NmrOneD275493Specdb::NmrOneD275494Specdb::NmrOneD275495Specdb::NmrOneD275496Specdb::NmrOneD275497Specdb::MsMs28307Specdb::MsMs28308Specdb::MsMs28309Specdb::MsMs34865Specdb::MsMs34866Specdb::MsMs3486725246002C0457918345MI-PENTAKISPHOSPHATEKanehisa, 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 370:17-25.17765195Periplasmic AppA proteinP07102PPA_ECOLIappAhttp://ecmdb.ca/proteins/P07102.xmlMyo-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 + Myo-inositol hexakisphosphate > 1-Myo-inositol 1,2,3,4,5-pentakisphosphate + PhosphatePW_R005388