1.0 2011-09-21 00:12:29 UTC 2018-05-28 18:32:40 UTC FDB022343 1D-Myo-inositol 1,4-bisphosphate 1D-Myo-inositol 1,4-bisphosphate is a substrate for Inositol polyphosphate 1-phosphatase, Phosphatidylinositol 4,5-bisphosphate 5-phosphatase A, Skeletal muscle and kidney enriched inositol phosphatase and Type I inositol-1,4,5-trisphosphate 5-phosphatase. [HMDB] 1D-myo-Inositol 1,4-bisate 1D-myo-Inositol 1,4-bisic acid 1D-Myo-inositol 1,4-bisphosphate 1D-Myo-inositol 1,4-bisphosphic acid D-myo-Inositol 1,4-bisate D-myo-Inositol 1,4-bisic acid D-myo-inositol 1,4-bisphosphate D-myo-INOSITOL-1,4-bisATE D-myo-INOSITOL-1,4-bisic acid Inositol 1,4-bisate Inositol 1,4-bisic acid inositol 1,4-bisphosphate myo-Inositol 1,4-bisate myo-Inositol 1,4-bisic acid myo-inositol 1,4-bisphosphate C6H14O12P2 340.1157 339.996048936 {[(1R,2R,3R,4R,5R,6S)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphonic acid [(1R,2R,3R,4R,5R,6S)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxyphosphonic acid 47055-78-7 O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5+,6+/m1/s1 PELZSPZCXGTUMR-RTPHHQFDSA-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 Cyclohexanols Hydrocarbon derivatives Monoalkyl phosphates Organic oxides Polyols Aliphatic homomonocyclic compound Alkyl phosphate Cyclohexanol Hydrocarbon derivative Inositol phosphate Monoalkyl phosphate Organic oxide Organic phosphoric acid derivative Phosphoric acid ester Polyol Secondary alcohol myo-inositol bisphosphate Solid logp -1.33 ALOGPS logs -1.14 ALOGPS solubility 2.44e+01 g/l ALOGPS logp -4 ChemAxon pka_strongest_acidic 0.86 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac {[(1R,2R,3R,4R,5R,6S)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphonic acid ChemAxon average_mass 340.1157 ChemAxon mono_mass 339.996048936 ChemAxon smiles O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O ChemAxon formula C6H14O12P2 ChemAxon inchi InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5+,6+/m1/s1 ChemAxon inchikey PELZSPZCXGTUMR-RTPHHQFDSA-N ChemAxon polar_surface_area 214.44 ChemAxon refractivity 57.52 ChemAxon polarizability 25.1 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Inositol Metabolism SMP00011 map00562 Inositol Phosphate Metabolism SMP00462 map00562 Specdb::NmrOneD 332978 Specdb::NmrOneD 332979 Specdb::NmrOneD 332980 Specdb::NmrOneD 332981 Specdb::NmrOneD 332982 Specdb::NmrOneD 332983 Specdb::NmrOneD 332984 Specdb::NmrOneD 332985 Specdb::NmrOneD 332986 Specdb::NmrOneD 332987 Specdb::NmrOneD 332988 Specdb::NmrOneD 332989 Specdb::NmrOneD 332990 Specdb::NmrOneD 332991 Specdb::NmrOneD 332992 Specdb::NmrOneD 332993 Specdb::NmrOneD 332994 Specdb::NmrOneD 332995 Specdb::NmrOneD 332996 Specdb::NmrOneD 332997 Specdb::CMs 2605 Specdb::CMs 37869 Specdb::CMs 132377 Specdb::CMs 140111 Specdb::CMs 1082523 Specdb::CMs 1082524 Specdb::CMs 1082525 Specdb::CMs 1082526 Specdb::CMs 1082527 Specdb::CMs 1082528 Specdb::CMs 1082529 Specdb::CMs 1082530 Specdb::CMs 1082531 Specdb::CMs 1082532 Specdb::CMs 1082533 Specdb::CMs 1082534 Specdb::CMs 1082535 Specdb::CMs 1082536 Specdb::CMs 1082537 Specdb::CMs 1082538 Specdb::CMs 1082539 Specdb::CMs 1082540 Specdb::CMs 1082541 Specdb::CMs 1082542 Specdb::CMs 1082543 Specdb::MsMs 178521 Specdb::MsMs 178522 Specdb::MsMs 178523 Specdb::MsMs 180840 Specdb::MsMs 180841 Specdb::MsMs 180842 Specdb::MsMs 2340993 Specdb::MsMs 2340994 Specdb::MsMs 2340995 Specdb::MsMs 2593861 Specdb::MsMs 2593862 Specdb::MsMs 2593863 HMDB00968 17816 #<Reference:0x000055ac4126dd18> #<Reference:0x000055ac4126da20> #<Reference:0x000055ac4126d728> 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 Glycophorin-B P06028 GYPB Inositol polyphosphate 5-phosphatase K Q9BT40 INPP5K Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 O15357 INPPL1 Phosphatidylinositol 4,5-bisphosphate 5-phosphatase A Q15735 INPP5J