1.0 2011-09-21 00:35:47 UTC 2015-07-21 06:57:54 UTC FDB023851 1D-Myo-inositol 1,3-bisphosphate 1D-Myo-inositol 1,3-bisphosphate is an intermediate in inositol phosphate metabolism. The enzyme phosphatidylinositol 3-kinase [EC:2.7.1.137] catalyzes the production of this metabolite from 1-Phosphatidyl-D-myo-inositol. [HMDB] 1D-myo-Inositol 1,3-bisate 1D-myo-Inositol 1,3-bisic acid D-myo-Inositol 1,3-bisate D-myo-Inositol 1,3-bisic acid D-myo-Inositol 1,3-bisphosphate Inositol 1,3-bisate Inositol 1,3-bisic acid Inositol 1,3-bisphosphate Inositol 1,3-diate Inositol 1,3-diphosphate Inositol(1,3)bisate Inositol(1,3)bisphosphate myo-Inositol 1,3-bis(dihydrogen ate) myo-inositol 1,3-bis(dihydrogen phosphate) myo-Inositol 1,3-bisate myo-Inositol 1,3-bisic acid myo-Inositol 1,3-bisphosphate myo-Inositol, 1,3-bis(dihydrogen ate) myo-Inositol, 1,3-bis(dihydrogen phosphate) ORate mono-(2,3,4,6-tetrahydroxy-5-onooxy-cyclohexyl) ester ORIC ACID MONO-(2,3,4,6-tetrahydroxy-5-onooxy-cyclohexyl) ester C6H14O12P2 340.1157 339.996048936 {[(1S,2R,3s,4S,5R,6s)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphonic acid [(1S,2R,3s,4S,5R,6s)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxyphosphonic acid 103597-56-4 O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3+,4+,5+,6- PUVHMWJJTITUGO-FICORBCRSA-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 -1.32 ALOGPS logs -1.15 ALOGPS solubility 2.39e+01 g/l ALOGPS logp -4 ChemAxon pka_strongest_acidic 0.86 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac {[(1S,2R,3s,4S,5R,6s)-2,3,4,6-tetrahydroxy-5-(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](OP(O)(O)=O)[C@@H]1O ChemAxon formula C6H14O12P2 ChemAxon inchi InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3+,4+,5+,6- ChemAxon inchikey PUVHMWJJTITUGO-FICORBCRSA-N ChemAxon polar_surface_area 214.44 ChemAxon refractivity 57.52 ChemAxon polarizability 25.07 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Inositol Phosphate Metabolism SMP00462 map00562 Specdb::CMs 8305 Specdb::CMs 38975 Specdb::CMs 148771 Specdb::NmrOneD 67892 Specdb::NmrOneD 67893 Specdb::NmrOneD 67894 Specdb::NmrOneD 67895 Specdb::NmrOneD 67896 Specdb::NmrOneD 67897 Specdb::NmrOneD 67898 Specdb::NmrOneD 67899 Specdb::NmrOneD 67900 Specdb::NmrOneD 67901 Specdb::NmrOneD 67902 Specdb::NmrOneD 67903 Specdb::NmrOneD 67904 Specdb::NmrOneD 67905 Specdb::NmrOneD 67906 Specdb::NmrOneD 67907 Specdb::NmrOneD 67908 Specdb::NmrOneD 67909 Specdb::NmrOneD 67910 Specdb::NmrOneD 67911 Specdb::MsMs 258960 Specdb::MsMs 258961 Specdb::MsMs 258962 Specdb::MsMs 278898 Specdb::MsMs 278899 Specdb::MsMs 278900 Specdb::MsMs 2352616 Specdb::MsMs 2352617 Specdb::MsMs 2352618 Specdb::MsMs 2583551 Specdb::MsMs 2583552 Specdb::MsMs 2583553 HMDB06234 18225 ITP 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 Myotubularin Q13496 MTM1