1.0 2010-04-08 22:05:39 UTC 2015-07-20 21:51:07 UTC FDB003097 1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate Classified as a Natural Food Constituent (code WA) in the DFC 1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate 1,2-Dilinolein dihydrogen phosphate Linolein, 1,2-di-, dihydrogen ate C39H69O8P 696.9341 696.473005696 {2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy}phosphonic acid 2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propoxyphosphonic acid 13397-95-0 CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC InChI=1S/C39H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37H,3-10,15-16,21-36H2,1-2H3,(H2,42,43,44)/b13-11+,14-12+,19-17+,20-18+ OBXRDFNCKFWKNY-WVZYQCMWSA-N belongs to the class of organic compounds known as 1,2-diacylglycerol-3-phosphates. These are glycerol-3-phosphates in which the glycerol moiety is bonded to two aliphatic chains through ester linkages. 1,2-diacylglycerol-3-phosphates Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Monoalkyl phosphates Organic oxides 1,2-diacylglycerol-3-phosphate Aliphatic acyclic compound Alkyl phosphate Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Monoalkyl phosphate Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organooxygen compound Phosphoric acid ester logp 8.63 ALOGPS logs -6.89 ALOGPS solubility 8.97e-05 g/l ALOGPS logp 12.21 ChemAxon pka_strongest_acidic 1.32 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac {2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy}phosphonic acid ChemAxon average_mass 696.9341 ChemAxon mono_mass 696.473005696 ChemAxon smiles CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC ChemAxon formula C39H69O8P ChemAxon inchi InChI=1S/C39H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37H,3-10,15-16,21-36H2,1-2H3,(H2,42,43,44)/b13-11+,14-12+,19-17+,20-18+ ChemAxon inchikey OBXRDFNCKFWKNY-WVZYQCMWSA-N ChemAxon polar_surface_area 119.36 ChemAxon refractivity 201.44 ChemAxon polarizability 81.74 ChemAxon rotatable_bond_count 36 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 86262 Specdb::MsMs 86263 Specdb::MsMs 86264 Specdb::MsMs 148521 Specdb::MsMs 148522 Specdb::MsMs 148523 Specdb::MsMs 2474675 Specdb::MsMs 2474676 Specdb::MsMs 2474677 Specdb::MsMs 2490548 Specdb::MsMs 2490549 Specdb::MsMs 2490550 Specdb::MsMs 2746211 Specdb::MsMs 2746212 Specdb::MsMs 2746213 HMDB31092 #<Reference:0x000055ce306dd298>