1.0 2020-03-25 16:05:57 UTC 2020-04-22 18:59:50 UTC BMDB0096706 LysoPA(O-18:0/0:0) 1-Octadecyl-sn-glycero-3-phosphate LysoPA(18:0E) LysoPA(O-18:0) PA(O-18:0/0:0) [(2R)-2-Hydroxy-3-octadecoxy-propyl] dihydrogen phosphate LPA(18:0E/0:0) C21H45O6P 424.559 424.295376167 [2-hydroxy-3-(octadecyloxy)propoxy]phosphonic acid 2-hydroxy-3-(octadecyloxy)propoxyphosphonic acid CCCCCCCCCCCCCCCCCCOCC(O)COP(O)(O)=O InChI=1S/C21H45O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h21-22H,2-20H2,1H3,(H2,23,24,25) HUUYDUFSUADEJQ-UHFFFAOYSA-N belongs to the class of organic compounds known as monoalkylglycerophosphates. Monoalkylglycerophosphates are compounds containing glycerophosphate moiety attached to an fatty acyl chain through an ether bond. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Monoalkylglycerophosphates Dialkyl ethers Glycerol ethers Hydrocarbon derivatives Monoalkyl phosphates Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Alkyl phosphate Dialkyl ether Ether Glycerol ether Hydrocarbon derivative Monoalkyl phosphate Monoalkylglycerophosphate Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organooxygen compound Phosphoric acid ester Secondary alcohol Aliphatic acyclic compounds logp 5.43 ALOGPS logs -5.25 ALOGPS logp 6.23 ChemAxon pka_strongest_acidic 1.51 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac [2-hydroxy-3-(octadecyloxy)propoxy]phosphonic acid ChemAxon average_mass 424.559 ChemAxon mono_mass 424.295376167 ChemAxon smiles CCCCCCCCCCCCCCCCCCOCC(O)COP(O)(O)=O ChemAxon formula C21H45O6P ChemAxon inchi InChI=1S/C21H45O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h21-22H,2-20H2,1H3,(H2,23,24,25) ChemAxon inchikey HUUYDUFSUADEJQ-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 114.43 ChemAxon polarizability 51.93 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 5 ChemAxon donor_count 3 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 FDB098854 16017852 12051354