1.0 2016-10-03 18:13:34 UTC 2020-04-22 15:42:55 UTC BMDB0011145 BMDB11145 PA(16:0e/18:0) 2-Octadecanoyl-1-hexadecyl-sn-glycero-3-phosphate PA(O-16:0/18:0) C37H75O7P 662.974 662.525041753 [(2R)-3-(hexadecyloxy)-2-(octadecanoyloxy)propoxy]phosphonic acid (2R)-3-(hexadecyloxy)-2-(octadecanoyloxy)propoxyphosphonic acid [H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C37H75O7P/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/h36H,3-35H2,1-2H3,(H2,39,40,41)/t36-/m1/s1 BIMPCBJDAYKNLD-PSXMRANNSA-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 Fatty acid esters 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 Fatty acid ester Fatty acyl 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 1-alkyl,2-acylglycerophosphates Solid logp 9.40 ALOGPS logs -6.90 ALOGPS logp 13.15 ChemAxon pka_strongest_acidic 1.32 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac [(2R)-3-(hexadecyloxy)-2-(octadecanoyloxy)propoxy]phosphonic acid ChemAxon average_mass 662.974 ChemAxon mono_mass 662.525041753 ChemAxon smiles [H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C37H75O7P ChemAxon inchi InChI=1S/C37H75O7P/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/h36H,3-35H2,1-2H3,(H2,39,40,41)/t36-/m1/s1 ChemAxon inchikey BIMPCBJDAYKNLD-PSXMRANNSA-N ChemAxon polar_surface_area 102.29 ChemAxon refractivity 188.02 ChemAxon polarizability 84.19 ChemAxon rotatable_bond_count 38 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 10105 Specdb::MsMs 23393 Specdb::MsMs 23394 Specdb::MsMs 23395 Specdb::MsMs 30191 Specdb::MsMs 30192 Specdb::MsMs 30193 Specdb::MsMs 3044236 Specdb::MsMs 3044237 Specdb::MsMs 3044238 Specdb::MsMs 3098842 Specdb::MsMs 3098843 Specdb::MsMs 3098844 Specdb::NmrOneD 339048 Specdb::NmrOneD 339049 Specdb::NmrOneD 339050 Specdb::NmrOneD 339051 Specdb::NmrOneD 339052 Specdb::NmrOneD 339053 Specdb::NmrOneD 339054 Specdb::NmrOneD 339055 Specdb::NmrOneD 339056 Specdb::NmrOneD 339057 Specdb::NmrOneD 339058 Specdb::NmrOneD 339059 Specdb::NmrOneD 339060 Specdb::NmrOneD 339061 Specdb::NmrOneD 339062 Specdb::NmrOneD 339063 Specdb::NmrOneD 339064 Specdb::NmrOneD 339065 Specdb::NmrOneD 339066 Specdb::NmrOneD 339067 24766519 52929644 FDB027920