1.0 2011-09-21 00:35:46 UTC 2017-04-03 05:02:16 UTC FDB023849 5-Diphosphoinositol pentakisphosphate Diphosphoinositol pentakisphosphate (InsP7) contains an inositol polyphosphate that contains a pyrophosphate bond. InsP7 is formed from inositol hexakisphosphate (InsP6) by a family of three inositol hexakisphosphate kinases (InsP6K). (PMID: 15533939). It is an intracellular signaling molecule that regulates many cellular processes including endocytosis, vesicle trafficking, apoptosis, and DNA repair. (PMID 15316027) [HMDB] (1R,2R,3S,4S,5R,6S)-2,3,4,5,6-Pentakis(onooxy)cyclohexyl trihydrogen diate (1R,2R,3S,4S,5R,6S)-2,3,4,5,6-Pentakis(onooxy)cyclohexyl trihydrogen diic acid 1,2,3,4,6-Pentakis-O-ONO-1D-myo-inositol 5-(trihydrogen diate) 1,2,3,4,6-pentakis-O-phosphono-1D-myo-inositol 5-(trihydrogen diphosphate) 1D-myo-Inositol 5-diate 1,2,3,4,6-pentakisate 1D-myo-Inositol 5-diate pentakisate 1D-myo-Inositol 5-diic acid 1,2,3,4,6-pentakisic acid 1D-myo-Inositol 5-diic acid pentakisic acid 1D-myo-inositol 5-diphosphate pentakisphosphate 5-DiO-1D-myo-inositol 1,2,3,4,6-pentakisate 5-DiO-1D-myo-inositol pentakisate 5-Dioinositol pentakisate 5-Dioinositol pentakisic acid 5-Diphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate 5-diphospho-1D-myo-inositol pentakisphosphate 5-PP-InsP5 5beta 5PP-IP5 5beta-IP7 Dioinositol pentakisate diphosphoinositol pentakisphosphate InsP7 IP7 PP-InsP5 C6H19O27P7 740.0152 739.827700986 {[(1R,2r,3S,4R,5s,6S)-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid [(1R,2r,3S,4R,5s,6S)-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxyphosphonic acid 87-89-8 OP(O)(=O)O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+ UPHPWXPNZIOZJL-KXXVROSKSA-N belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. Inositol phosphates Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homomonocyclic compounds Hydrocarbon derivatives Monoalkyl phosphates Organic oxides Organic pyrophosphates Aliphatic homomonocyclic compound Alkyl phosphate Hydrocarbon derivative Inositol phosphate Monoalkyl phosphate Organic oxide Organic phosphoric acid derivative Organic pyrophosphate Phosphoric acid ester myo-inositol pentakisphosphate Solid logp 0.35 ALOGPS logs -1.72 ALOGPS solubility 1.40e+01 g/l ALOGPS logp -4.9 ChemAxon pka_strongest_acidic 0.14 ChemAxon iupac {[(1R,2r,3S,4R,5s,6S)-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid ChemAxon average_mass 740.0152 ChemAxon mono_mass 739.827700986 ChemAxon smiles OP(O)(=O)O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O ChemAxon formula C6H19O27P7 ChemAxon inchi InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+ ChemAxon inchikey UPHPWXPNZIOZJL-KXXVROSKSA-N ChemAxon polar_surface_area 447.09 ChemAxon refractivity 111.89 ChemAxon polarizability 46.86 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 20 ChemAxon donor_count 13 ChemAxon physiological_charge -12 ChemAxon formal_charge 0 ChemAxon Inositol Phosphate Metabolism SMP00462 map00562 Specdb::CMs 67287 Specdb::MsMs 179973 Specdb::MsMs 179974 Specdb::MsMs 179975 Specdb::MsMs 182307 Specdb::MsMs 182308 Specdb::MsMs 182309 Specdb::MsMs 2815642 Specdb::MsMs 2815643 Specdb::MsMs 2815644 Specdb::MsMs 2893580 Specdb::MsMs 2893581 Specdb::MsMs 2893582 Specdb::NmrOneD 67852 Specdb::NmrOneD 67853 Specdb::NmrOneD 67854 Specdb::NmrOneD 67855 Specdb::NmrOneD 67856 Specdb::NmrOneD 67857 Specdb::NmrOneD 67858 Specdb::NmrOneD 67859 Specdb::NmrOneD 67860 Specdb::NmrOneD 67861 Specdb::NmrOneD 67862 Specdb::NmrOneD 67863 Specdb::NmrOneD 67864 Specdb::NmrOneD 67865 Specdb::NmrOneD 67866 Specdb::NmrOneD 67867 Specdb::NmrOneD 67868 Specdb::NmrOneD 67869 Specdb::NmrOneD 67870 Specdb::NmrOneD 67871 HMDB06229 30164 I7P #<Reference:0x000055ce31bf3588> #<Reference:0x000055ce31bf33d0> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823