1.0 2011-09-21 01:50:06 UTC 2015-07-21 06:59:37 UTC FDB029100 1-Diphosinositol 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] (1S,2S,3R,4S,5S,6S)-2,3,4,5,6-Pentakis(onooxy)cyclohexyl trihydrogen diate (1S,2S,3R,4S,5S,6S)-2,3,4,5,6-Pentakis(onooxy)cyclohexyl trihydrogen diic acid 1-(Trihydrogen diate) 1-(trihydrogen diphosphate) 3-PP-IP5 D-myo-Inositol, 2,3,4,5,6-pentakis(dihydrogen ate) D-myo-Inositol, 2,3,4,5,6-pentakis(dihydrogen phosphate) DiO-myo-inositol pentakisate Diphospho-myo-inositol pentakisphosphate C6H19O27P7 740.0152 739.827700986 {[(1S,2S,3R,4S,5R,6R)-3-{[hydroxy(phosphonooxy)phosphoryl]oxy}-2,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid [(1S,2S,3R,4S,5R,6R)-3-{[hydroxy(phosphonooxy)phosphoryl]oxy}-2,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxyphosphonic acid 148077-18-3 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-/m0/s1 UPHPWXPNZIOZJL-PTQMNWPWSA-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 {[(1S,2S,3R,4S,5R,6R)-3-{[hydroxy(phosphonooxy)phosphoryl]oxy}-2,4,5,6-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-/m0/s1 ChemAxon inchikey UPHPWXPNZIOZJL-PTQMNWPWSA-N ChemAxon polar_surface_area 447.09 ChemAxon refractivity 111.89 ChemAxon polarizability 47.48 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 20 ChemAxon donor_count 13 ChemAxon physiological_charge -12 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 182772 Specdb::MsMs 182773 Specdb::MsMs 182774 Specdb::MsMs 183120 Specdb::MsMs 183121 Specdb::MsMs 183122 Specdb::CMs 65902 HMDB12494 #<Reference:0x000055ce2d03a8d0> #<Reference:0x000055ce2d03a718>