1.0 2011-09-21 00:26:44 UTC 2015-07-21 06:57:36 UTC FDB023237 1-Phosphatidyl-1D-myo-inositol 3-phosphate 1-Phosphatidyl-1D-myo-inositol 3-phosphate is a substrate for FYVE finger-containing phosphoinositide kinase and Neutrophil cytosol factor 4. [HMDB] 1-Atidyl-1D-myo-inositol 3-ate 1-Phosphatidyl-1D-myo-inositol 3-phosphate 1-Phosphatidyl-1D-myo-inositol 3-phosphic acid Atidylinositol 3-ate Phosphatidylinositol 3-phosphate C11H20O16P2 470.2144 470.022657616 (2R)-2-({[hydroxy({[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy})phosphoryl]oxy}methyl)butanedioic acid (2R)-2-[({hydroxy[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxyphosphoryl}oxy)methyl]butanedioic acid O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(=O)OC[C@@H](CC(O)=O)C(O)=O)[C@@H]1O InChI=1S/C11H20O16P2/c12-4(13)1-3(11(18)19)2-25-29(23,24)27-10-7(16)5(14)6(15)9(8(10)17)26-28(20,21)22/h3,5-10,14-17H,1-2H2,(H,12,13)(H,18,19)(H,23,24)(H2,20,21,22)/t3-,5+,6+,7-,8-,9-,10+/m1/s1 YKMGQFUXYYTRLF-SLJXNWFNSA-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 Carbonyl compounds Carboxylic acids Cyclohexanols Dialkyl phosphates Dicarboxylic acids and derivatives Fatty acids and conjugates Hydrocarbon derivatives Monoalkyl phosphates Organic oxides Polyols Aliphatic homomonocyclic compound Alkyl phosphate Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclohexanol Dialkyl phosphate Dicarboxylic acid or derivatives Fatty acid Hydrocarbon derivative Inositol phosphate Monoalkyl phosphate Organic oxide Organic phosphoric acid derivative Phosphoric acid ester Polyol Secondary alcohol Solid logp -1.58 ALOGPS logs -1.29 ALOGPS solubility 2.42e+01 g/l ALOGPS logp -4.3 ChemAxon pka_strongest_acidic 1.08 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2R)-2-({[hydroxy({[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy})phosphoryl]oxy}methyl)butanedioic acid ChemAxon average_mass 470.2144 ChemAxon mono_mass 470.022657616 ChemAxon smiles O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(=O)OC[C@@H](CC(O)=O)C(O)=O)[C@@H]1O ChemAxon formula C11H20O16P2 ChemAxon inchi InChI=1S/C11H20O16P2/c12-4(13)1-3(11(18)19)2-25-29(23,24)27-10-7(16)5(14)6(15)9(8(10)17)26-28(20,21)22/h3,5-10,14-17H,1-2H2,(H,12,13)(H,18,19)(H,23,24)(H2,20,21,22)/t3-,5+,6+,7-,8-,9-,10+/m1/s1 ChemAxon inchikey YKMGQFUXYYTRLF-SLJXNWFNSA-N ChemAxon polar_surface_area 278.04 ChemAxon refractivity 83.63 ChemAxon polarizability 36.85 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge -5 ChemAxon formal_charge 0 ChemAxon Inositol Metabolism SMP00011 map00562 Specdb::MsMs 182919 Specdb::MsMs 182920 Specdb::MsMs 182921 Specdb::MsMs 183267 Specdb::MsMs 183268 Specdb::MsMs 183269 Specdb::CMs 12666 Specdb::CMs 38662 HMDB03850 17283 #<Reference:0x000055ce319842e8> Type I inositol 3,4-bisphosphate 4-phosphatase Q96PE3 INPP4A Type II inositol 3,4-bisphosphate 4-phosphatase O15327 INPP4B