1.0 2020-04-20 19:11:42 UTC 2025-11-19 03:11:37 UTC FDB112296 PA(P-16:0/18:2(9Z,12Z)) C37H69O7P 656.9133 656.478091074 [(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphonic acid (2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphonic acid [H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C37H69O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,31,33,36H,3-10,12,14-16,18,20-30,32,34-35H2,1-2H3,(H2,39,40,41)/b13-11-,19-17-,33-31-/t36-/m1/s1 OLCTYLMZTXKGKH-BBNWHMLASA-N belongs to the class of organic compounds known as 1-(1z-alkenyl),2-acyl-glycerophosphates. These are glycerophosphates that carry exactly one acyl chain attached to the glycerol moiety through an ester linkage at the O2-position, and one 1Z-alkenyl chain attached through an ether linkage at the O1-position. 1-(1Z-alkenyl),2-acyl-glycerophosphates Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Glycerol vinyl ethers Hydrocarbon derivatives Monoalkyl phosphates Monocarboxylic acids and derivatives Organic oxides 1-(1z-alkenyl),2-acyl-glycerol-3-phosphate Aliphatic acyclic compound Alkyl phosphate Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Glycerol vinyl ether Hydrocarbon derivative Monoalkyl phosphate Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organooxygen compound Phosphoric acid ester 1-(1Z-alkenyl),2-acylglycerophosphates logp 9.27 ALOGPS logs -6.90 ALOGPS solubility 8.32e-05 g/l ALOGPS logp 12.44 ChemAxon pka_strongest_acidic 1.32 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac [(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphonic acid ChemAxon average_mass 656.9133 ChemAxon mono_mass 656.478091074 ChemAxon smiles [H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C37H69O7P ChemAxon inchi InChI=1S/C37H69O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,31,33,36H,3-10,12,14-16,18,20-30,32,34-35H2,1-2H3,(H2,39,40,41)/b13-11-,19-17-,33-31-/t36-/m1/s1 ChemAxon inchikey OLCTYLMZTXKGKH-BBNWHMLASA-N ChemAxon polar_surface_area 102.29 ChemAxon refractivity 190.35 ChemAxon polarizability 79.89 ChemAxon rotatable_bond_count 35 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16361 Specdb::MsMs 27023 Specdb::MsMs 27024 Specdb::MsMs 27025 Specdb::MsMs 33581 Specdb::MsMs 33582 Specdb::MsMs 33583 Specdb::MsMs 2456202 Specdb::MsMs 2456203 Specdb::MsMs 2456204 Specdb::MsMs 2478997 Specdb::MsMs 2478998 Specdb::MsMs 2478999 Specdb::NmrOneD 335278 Specdb::NmrOneD 335279 Specdb::NmrOneD 335280 Specdb::NmrOneD 335281 Specdb::NmrOneD 335282 Specdb::NmrOneD 335283 Specdb::NmrOneD 335284 Specdb::NmrOneD 335285 Specdb::NmrOneD 335286 Specdb::NmrOneD 335287 Specdb::NmrOneD 335288 Specdb::NmrOneD 335289 Specdb::NmrOneD 335290 Specdb::NmrOneD 335291 Specdb::NmrOneD 335292 Specdb::NmrOneD 335293 Specdb::NmrOneD 335294 Specdb::NmrOneD 335295 Specdb::NmrOneD 335296 Specdb::NmrOneD 335297 HMDB0011155 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823