1.0 2011-09-21 00:35:46 UTC 2015-07-21 06:57:54 UTC FDB023850 Bisdiphosphoinositol tetrakisphosphate Diphosphoinositol tetrakisphosphate (InsP(8)) contains energetic pyrophosphate groups and occurs throughout animal and plant kingdoms. These molecules are synthesized by a recently cloned family of inositol hexakisphosphate kinases (InsP(6)Ks). It is one of the most highly phosphorylated members of the inositol-based cell signaling family. (PMID: 9822604) Bisdiphosphoinositol tetrakisphosphate regulates many cellular processes including endocytosis, vesicle trafficking, apoptosis, and DNA repair. (PMID 15316027) [HMDB] Bis (dio)inositol tetrakisate bis (diphospho)inositol tetrakisphosphate Bis-dioinositol tetrakisate Bis-dioinositol tetrakisic acid Bisdioinositol tetrakisate Bisdiphosphoinositol tetrakisphosphate C6H20O30P8 819.9951 819.794031396 {[hydroxy({[(1S,2S,3R,4S,5R,6R)-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy})phosphoryl]oxy}phosphonic acid [hydroxy([(1S,2S,3R,4S,5R,6R)-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy)phosphoryl]oxyphosphonic acid 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)OP(O)(O)=O)[C@@H]1OP(O)(O)=O InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/h1-6H,(H,25,26)(H,27,28)(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+/m1/s1 GXPFHIDIIMSLOF-YORTWTKJSA-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 1D-myo-inositol bis(diphosphate) tetrakisphosphate Solid logp 0.55 ALOGPS logs -1.80 ALOGPS solubility 1.29e+01 g/l ALOGPS logp -5.4 ChemAxon pka_strongest_acidic 0.14 ChemAxon iupac {[hydroxy({[(1S,2S,3R,4S,5R,6R)-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy})phosphoryl]oxy}phosphonic acid ChemAxon average_mass 819.9951 ChemAxon mono_mass 819.794031396 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)OP(O)(O)=O)[C@@H]1OP(O)(O)=O ChemAxon formula C6H20O30P8 ChemAxon inchi InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/h1-6H,(H,25,26)(H,27,28)(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+/m1/s1 ChemAxon inchikey GXPFHIDIIMSLOF-YORTWTKJSA-N ChemAxon polar_surface_area 493.62 ChemAxon refractivity 122.76 ChemAxon polarizability 52.01 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 22 ChemAxon donor_count 14 ChemAxon physiological_charge -13 ChemAxon formal_charge 0 ChemAxon Inositol Phosphate Metabolism SMP00462 map00562 Specdb::NmrOneD 67872 Specdb::NmrOneD 67873 Specdb::NmrOneD 67874 Specdb::NmrOneD 67875 Specdb::NmrOneD 67876 Specdb::NmrOneD 67877 Specdb::NmrOneD 67878 Specdb::NmrOneD 67879 Specdb::NmrOneD 67880 Specdb::NmrOneD 67881 Specdb::NmrOneD 67882 Specdb::NmrOneD 67883 Specdb::NmrOneD 67884 Specdb::NmrOneD 67885 Specdb::NmrOneD 67886 Specdb::NmrOneD 67887 Specdb::NmrOneD 67888 Specdb::NmrOneD 67889 Specdb::NmrOneD 67890 Specdb::NmrOneD 67891 Specdb::EiMs 4378 Specdb::CMs 1087433 Specdb::MsMs 179406 Specdb::MsMs 179407 Specdb::MsMs 179408 Specdb::MsMs 181734 Specdb::MsMs 181735 Specdb::MsMs 181736 Specdb::MsMs 2667985 Specdb::MsMs 2667986 Specdb::MsMs 2667987 Specdb::MsMs 3014330 Specdb::MsMs 3014331 Specdb::MsMs 3014332 HMDB06230 #<Reference:0x000055ce31f96780> #<Reference:0x000055ce31f965c8> 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