1.0 2011-09-21 00:40:45 UTC 2019-11-26 03:21:13 UTC FDB024159 1-Phosphatidyl-D-myo-inositol 1-Phosphatidyl-D-myo-inositol is an intermediate in inositol phosphate metabolism (KEGG ID C04637). It is generated from 1-phosphatidyl-1D-myo-inositol-5P via the enzyme 1-phosphatidylinositol-5-phosphate 4-kinase [EC:2.7.1.149] and then converted to 1D-myo-inositol-1,4,5P3 via the enzyme 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase [EC:3.1.4.11]. [HMDB] (3-Atidyl)-1-D-inositol (3-Phosphatidyl)-1-D-inositol 1-Atidyl-1D-myo-inositol 1-Atidyl-myo-inositol 1-Phosphatidyl-1D-myo-inositol 1-Phosphatidyl-myo-inositol 1,2-Diacyl-sn-glycero-3-oinositol 1,2-Diacyl-sn-glycero-3-phosphoinositol Atidyl-1D-myo-inositol Atidylinositol Phosphatidyl-1D-myo-inositol Phosphatidylinositol C11H19O13P 390.2345 390.056327206 [2,3-bis(formyloxy)propoxy]({[(2R,3S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid 2,3-bis(formyloxy)propoxy[(2R,3S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphinic acid OC1C(O)[C@H](O)C(OP(O)(=O)OCC(COC=O)OC=O)[C@H](O)[C@H]1O InChI=1S/C11H19O13P/c12-3-21-1-5(22-4-13)2-23-25(19,20)24-11-9(17)7(15)6(14)8(16)10(11)18/h3-11,14-18H,1-2H2,(H,19,20)/t5?,6?,7-,8?,9+,10-,11?/m0/s1 GUBXYMKIJFOYOA-WSRCIYAPSA-N belongs to the class of organic compounds known as phosphatidylinositols. These are glycerophosphoinositols where the glycerol is esterified with two fatty acids. Phosphatidylinositols Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Aliphatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Cyclohexanols Dialkyl phosphates Dicarboxylic acids and derivatives Hydrocarbon derivatives Inositol phosphates Organic oxides Polyols Alcohol Aliphatic homomonocyclic compound Alkyl phosphate Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclitol or derivatives Cyclohexanol Diacylglycerophosphoinositol Dialkyl phosphate Dicarboxylic acid or derivatives Hydrocarbon derivative Inositol phosphate Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organooxygen compound Phosphoric acid ester Polyol Secondary alcohol Solid logp -1.66 ALOGPS logs -1.16 ALOGPS solubility 2.70e+01 g/l ALOGPS logp -4.1 ChemAxon pka_strongest_acidic 1.83 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [2,3-bis(formyloxy)propoxy]({[(2R,3S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid ChemAxon average_mass 390.2345 ChemAxon mono_mass 390.056327206 ChemAxon smiles OC1C(O)[C@H](O)C(OP(O)(=O)OCC(COC=O)OC=O)[C@H](O)[C@H]1O ChemAxon formula C11H19O13P ChemAxon inchi InChI=1S/C11H19O13P/c12-3-21-1-5(22-4-13)2-23-25(19,20)24-11-9(17)7(15)6(14)8(16)10(11)18/h3-11,14-18H,1-2H2,(H,19,20)/t5?,6?,7-,8?,9+,10-,11?/m0/s1 ChemAxon inchikey GUBXYMKIJFOYOA-WSRCIYAPSA-N ChemAxon polar_surface_area 209.51 ChemAxon refractivity 72.71 ChemAxon polarizability 32.85 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Inositol Metabolism SMP00011 map00562 Specdb::CMs 39147 Specdb::MsMs 178578 Specdb::MsMs 178579 Specdb::MsMs 178580 Specdb::MsMs 180897 Specdb::MsMs 180898 Specdb::MsMs 180899 Specdb::NmrOneD 246488 Specdb::NmrOneD 246489 Specdb::NmrOneD 246490 Specdb::NmrOneD 246491 Specdb::NmrOneD 246492 Specdb::NmrOneD 246493 Specdb::NmrOneD 246494 Specdb::NmrOneD 246495 Specdb::NmrOneD 246496 Specdb::NmrOneD 246497 Specdb::NmrOneD 246498 Specdb::NmrOneD 246499 Specdb::NmrOneD 246500 Specdb::NmrOneD 246501 Specdb::NmrOneD 246502 Specdb::NmrOneD 246503 Specdb::NmrOneD 246504 Specdb::NmrOneD 246505 Specdb::NmrOneD 246506 Specdb::NmrOneD 246507 HMDB06953 16749 Lettuce Type 1 specific Lactuca sativa 4236 Milk (Cow) Type 2 specific 72 kDa inositol polyphosphate 5-phosphatase Q9NRR6 INPP5E Phosphatidylglycerophosphatase and protein-tyrosine phosphatase 1 Q8WUK0 PTPMT1 Phosphatidylinositol 4-kinase alpha P42356 PI4KA Phosphatidylinositol-4-phosphate 5-kinase type-1 gamma O60331 PIP5K1C Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform P42336 PIK3CA Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta isoform P42338 PIK3CB Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta isoform O00329 PIK3CD Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PIK3CG Phosphatidylinositol-5-phosphate 4-kinase type-2 alpha P48426 PIP4K2A Phosphatidylinositol-5-phosphate 4-kinase type-2 beta P78356 PIP4K2B Phosphatidylinositol-5-phosphate 4-kinase type-2 gamma Q8TBX8 PIP4K2C Synaptojanin-1 O43426 SYNJ1 Synaptojanin-2 O15056 SYNJ2