1.0 2016-09-30 22:40:31 UTC 2020-05-21 16:29:05 UTC BMDB0001059 BMDB01059 Inositol 1,3,4,5-tetraphosphate Inositol 1,3,4,5-tetraphosphate, also known as inositol 1,3,4,5-tetraphosphate, 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 1,3,4,5-tetraphosphate is possibly soluble (in water) and an extremely strong acidic compound (based on its pKa). Inositol 1,3,4,5-tetraphosphate participates in a number of enzymatic reactions, within cattle. In particular, Inositol 1,3,4,5-tetraphosphate can be converted into inositol 1,4,5-trisphosphate through its interaction with the enzyme multiple inositol polyphosphate phosphatase 1. In addition, Inositol 1,3,4,5-tetraphosphate can be biosynthesized from inositol 1,4,5-trisphosphate through its interaction with the enzyme inositol-trisphosphate 3-kinase a. In cattle, inositol 1,3,4,5-tetraphosphate is involved in the metabolic pathway called the inositol metabolism pathway. Inositol 1,3,4,5-tetraphosphoric acid 1,3,4,5-Tetrakis(dihydrogen phosphate) myo-inositol 1D-Myo-inositol 1,3,4,5-tetrakis(dihydrogen phosphate) 1D-Myo-inositol 1,3,4,5-tetrakisphosphate D-Myo-inositol 1,3,4,5-tetrakisphosphate Inositol 1,3,4,5-tetrakis(phosphate) Inositol 1,3,4,5-tetrakisphosphate Inositol-(1,3,4,5)-tetrakisphosphate Inositol-1,3,4,5-tetrakisphosphate Inositol-1,3,4,5-tetraphosphate Ins-1,3,4,5-P4 Myo-inositol 1,3,4,5-tetrakis(phosphate) Myo-inositol 1,3,4,5-tetraphosphate Myo-inositol, 1,3,4,5-tetrakis(dihydrogen phosphate) Myo-inositol-1,3,4,5-tetrakisphosphate [(2R,3S,5S,6S)-3,5-Dihydroxy-2,4,6-triphosphonooxycyclohexyl] dihydrogen phosphate Inositol-1,3,4,5-tetrakisphosphate, DL-isomer Ins(1,3,4,5)p(4) Inositol-1,3,4,5-tetrakisphosphate, D-isomer Ins(1,3,4,5)P4 C6H16O18P4 500.0755 499.928709756 {[(1R,2S,4S,5S)-2,4-dihydroxy-3,5,6-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acid [(1R,2S,4S,5S)-2,4-dihydroxy-3,5,6-tris(phosphonooxy)cyclohexyl]oxyphosphonic acid 102850-29-3 O[C@H]1C(OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)C(OP(O)(O)=O)[C@H]1OP(O)(O)=O InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3?,4-,5+,6?/m0/s1 CIPFCGZLFXVXBG-FTSGZOCFSA-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. Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Inositol phosphates Cyclohexanols Hydrocarbon derivatives Monoalkyl phosphates Organic oxides Aliphatic homomonocyclic compound Alkyl phosphate Cyclohexanol Hydrocarbon derivative Inositol phosphate Monoalkyl phosphate Organic oxide Organic phosphoric acid derivative Phosphoric acid ester Secondary alcohol Aliphatic homomonocyclic compounds Solid logp -0.45 ALOGPS logs -1.64 ALOGPS logp -4.3 ChemAxon pka_strongest_acidic 0.33 ChemAxon iupac {[(1R,2S,4S,5S)-2,4-dihydroxy-3,5,6-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acid ChemAxon average_mass 500.0755 ChemAxon mono_mass 499.928709756 ChemAxon smiles O[C@H]1C(OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)C(OP(O)(O)=O)[C@H]1OP(O)(O)=O ChemAxon formula C6H16O18P4 ChemAxon inchi InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3?,4-,5+,6?/m0/s1 ChemAxon inchikey CIPFCGZLFXVXBG-FTSGZOCFSA-N ChemAxon polar_surface_area 307.5 ChemAxon refractivity 79.27 ChemAxon polarizability 34.13 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 14 ChemAxon donor_count 10 ChemAxon physiological_charge -8 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Inositol Metabolism SMP0087242 Inositol Phosphate Metabolism SMP0087256 Specdb::CMs 10108 Specdb::CMs 37909 Specdb::MsMs 288331 Specdb::MsMs 288332 Specdb::MsMs 288333 Specdb::MsMs 327412 Specdb::MsMs 327413 Specdb::MsMs 327414 C01272 96919 FDB022398 107758 16783 37244 5973 DeSolms, S. Jane; Vacca, Joseph P.; Huff, Joel R. The total synthesis of (±)-myo-inositol-1,3,4-triphosphate, (±)-myo-inositol-2,4,5-triphosphate and (±)-myo-inositol-1,3,4,5-tetraphosphate. Tetrahedron Letters (1987), 28(39), 4503-6. BMDBP00089 Inositol-tetrakisphosphate 1-kinase P0C0T1 ITPK1 Enzyme BMDBP02946 Kinase F1N1W2 IPMK Enzyme BMDBP02948 Multiple inositol polyphosphate histidine phosphatase, 1 Q2TBT6 MINPP1 Enzyme BMDBP02949 Synaptojanin-1 O18964 SYNJ1 Enzyme BMDBP03138 Kinase A4FV33 ITPKA Enzyme