1.0 2019-08-07 19:49:38 UTC 2020-04-06 23:39:26 UTC FDB034764 PS(DiMe(11,5)/MonoMe(13,5)) C51H88NO12P 938.234 937.604414276 2-amino-3-{[(3-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-2-{[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy}propoxy)(hydroxy)phosphoryl]oxy}propanoic acid 2-amino-3-[(3-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-2-{[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy}propoxy(hydroxy)phosphoryl)oxy]propanoic acid CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1 InChI=1S/C51H88NO12P/c1-6-8-24-30-43-36-40(3)46(62-43)31-26-20-16-12-10-11-13-19-23-29-35-50(54)63-44(38-60-65(57,58)61-39-45(52)51(55)56)37-59-49(53)34-28-22-18-15-14-17-21-27-33-48-42(5)41(4)47(64-48)32-25-9-7-2/h36,44-45H,6-35,37-39,52H2,1-5H3,(H,55,56)(H,57,58) YGMQDGIEJHVJFN-UHFFFAOYSA-N belongs to the class of organic compounds known as phosphatidylserines. These are glycerophosphoserines in which two fatty acids are bonded to the glycerol moiety through ester linkages. As is the case with diacylglycerols, phosphatidylserines can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. Phosphatidylserines Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Aromatic heteromonocyclic compounds Alpha amino acids Amino acids Carbonyl compounds Carboxylic acid esters Carboxylic acids Dialkyl phosphates Fatty acid esters Furanoid fatty acids Furans Heteroaromatic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Oxacyclic compounds Phosphoethanolamines Tricarboxylic acids and derivatives Alkyl phosphate Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Diacyl-glycerol-3-phosphoserine Dialkyl phosphate Fatty acid ester Fatty acyl Furan Furanoid fatty acid Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phosphoethanolamine Phosphoric acid ester Primary aliphatic amine Primary amine Tricarboxylic acid or derivatives logp 4.50 ALOGPS logs -5.52 ALOGPS solubility 2.83e-03 g/l ALOGPS logp 12.55 ChemAxon pka_strongest_acidic 1.47 ChemAxon pka_strongest_basic 9.38 ChemAxon iupac 2-amino-3-{[(3-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-2-{[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy}propoxy)(hydroxy)phosphoryl]oxy}propanoic acid ChemAxon average_mass 938.234 ChemAxon mono_mass 937.604414276 ChemAxon smiles CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1 ChemAxon formula C51H88NO12P ChemAxon inchi InChI=1S/C51H88NO12P/c1-6-8-24-30-43-36-40(3)46(62-43)31-26-20-16-12-10-11-13-19-23-29-35-50(54)63-44(38-60-65(57,58)61-39-45(52)51(55)56)37-59-49(53)34-28-22-18-15-14-17-21-27-33-48-42(5)41(4)47(64-48)32-25-9-7-2/h36,44-45H,6-35,37-39,52H2,1-5H3,(H,55,56)(H,57,58) ChemAxon inchikey YGMQDGIEJHVJFN-UHFFFAOYSA-N ChemAxon polar_surface_area 197.96 ChemAxon refractivity 256.58 ChemAxon polarizability 113.85 ChemAxon rotatable_bond_count 44 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 2480416 Specdb::MsMs 2480417 Specdb::MsMs 2480418 Specdb::MsMs 2673925 Specdb::MsMs 2673926 Specdb::MsMs 2673927 Specdb::MsMs 2794001 Specdb::MsMs 2794002 Specdb::MsMs 2794003 Specdb::MsMs 3032156 Specdb::MsMs 3032157 Specdb::MsMs 3032158 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