1.0 2016-10-03 18:13:46 UTC 2020-04-22 15:42:59 UTC BMDB0011156 BMDB11156 PA(20:4(5Z,8Z,11Z,14Z)e/2:0) 2-Acetyl-1-(5Z,8Z,11Z,14Z-eicosatetraenyl)-sn-glycero-phosphate [(2R)-2-(Acetyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yloxy]propoxy]phosphonate PA(O-20:4(5Z,8Z,11Z,14Z)/2:0) C25H43O7P 486.5785 486.274640242 [(2R)-2-(acetyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yloxy]propoxy]phosphonic acid (2R)-2-(acetyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yloxy]propoxyphosphonic acid CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC[C@]([H])(COP(=O)(O)O)OC(C)=O InChI=1S/C25H43O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22-25(32-24(2)26)23-31-33(27,28)29/h7-8,10-11,13-14,16-17,25H,3-6,9,12,15,18-23H2,1-2H3,(H2,27,28,29)/b8-7-,11-10-,14-13-,17-16-/t25-/m1/s1 LTIFQHVEGFEXBJ-NTNVCBRRSA-N belongs to the class of organic compounds known as 1-alkyl,2-acylglycerophosphates. These are glycerophosphates in which the O-1 atom of the glycerol is bonded to a fatty acid (saturated or unsaturated) through an ether linkage, and the O-2 atom is bonded to another fatty acid through an ester linkage. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1-alkyl,2-acylglycerophosphates Carbonyl compounds Carboxylic acid esters Dialkyl ethers Glycerol ethers Hydrocarbon derivatives Monoalkyl phosphates Monocarboxylic acids and derivatives Organic oxides 1-alkyl,2-acyl-glycerol-3-phosphate Aliphatic acyclic compound Alkyl phosphate Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Glycerol ether Hydrocarbon derivative Monoalkyl phosphate Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organooxygen compound Phosphoric acid ester Aliphatic acyclic compounds Solid logp 5.89 ALOGPS logs -5.60 ALOGPS logp 6.11 ChemAxon pka_strongest_acidic 1.32 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac [(2R)-2-(acetyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yloxy]propoxy]phosphonic acid ChemAxon average_mass 486.5785 ChemAxon mono_mass 486.274640242 ChemAxon smiles CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC[C@]([H])(COP(=O)(O)O)OC(C)=O ChemAxon formula C25H43O7P ChemAxon inchi InChI=1S/C25H43O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22-25(32-24(2)26)23-31-33(27,28)29/h7-8,10-11,13-14,16-17,25H,3-6,9,12,15,18-23H2,1-2H3,(H2,27,28,29)/b8-7-,11-10-,14-13-,17-16-/t25-/m1/s1 ChemAxon inchikey LTIFQHVEGFEXBJ-NTNVCBRRSA-N ChemAxon polar_surface_area 102.29 ChemAxon refractivity 137.25 ChemAxon polarizability 53.73 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 22989 Specdb::CMs 145910 Specdb::MsMs 27359 Specdb::MsMs 27360 Specdb::MsMs 27361 Specdb::MsMs 33917 Specdb::MsMs 33918 Specdb::MsMs 33919 Specdb::MsMs 2784955 Specdb::MsMs 2784956 Specdb::MsMs 2784957 Specdb::MsMs 2923435 Specdb::MsMs 2923436 Specdb::MsMs 2923437 Specdb::NmrOneD 306751 Specdb::NmrOneD 306752 Specdb::NmrOneD 306753 Specdb::NmrOneD 306754 Specdb::NmrOneD 306755 Specdb::NmrOneD 306756 Specdb::NmrOneD 306757 Specdb::NmrOneD 306758 Specdb::NmrOneD 306759 Specdb::NmrOneD 306760 Specdb::NmrOneD 306761 Specdb::NmrOneD 306762 Specdb::NmrOneD 306763 Specdb::NmrOneD 306764 Specdb::NmrOneD 306765 Specdb::NmrOneD 306766 Specdb::NmrOneD 306767 Specdb::NmrOneD 306768 Specdb::NmrOneD 306769 Specdb::NmrOneD 306770 24766522 53480670 FDB027931