2.0 2015-09-08 17:49:19 -0600 2015-09-08 17:49:19 -0600 ECMDB24101 M2MDB006218 LPA(18:0/0:0) C21H43O7P 438.5357 438.274640242 [2-hydroxy-3-(octadecanoyloxy)propoxy]phosphonic acid 2-hydroxy-3-(octadecanoyloxy)propoxyphosphonic acid [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(O)=O InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)/t20-/m1/s1 LAYXSTYJRSVXIH-HXUWFJFHSA-N logp 5.01 ALOGPS logs -5.48 ALOGPS solubility 1.47e-03 g/l ALOGPS logp 5.85 ChemAxon pka_strongest_acidic 1.51 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac [2-hydroxy-3-(octadecanoyloxy)propoxy]phosphonic acid ChemAxon average_mass 438.5357 ChemAxon mono_mass 438.274640242 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(O)=O ChemAxon formula C21H43O7P ChemAxon inchi InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)/t20-/m1/s1 ChemAxon inchikey LAYXSTYJRSVXIH-HXUWFJFHSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 114.18 ChemAxon polarizability 51.46 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon phospholipid biosynthesis I (18:0, 18:0) PW001001 Metabolic Specdb::CMs 39410 Specdb::CMs 165105 Specdb::MsMs 2846294 Specdb::MsMs 2846295 Specdb::MsMs 2846296 Specdb::MsMs 2862298 Specdb::MsMs 2862299 Specdb::MsMs 2862300 Glycerol-3-phosphate acyltransferase P0A7A7 PLSB_ECOLI plsB http://ecmdb.ca/proteins/P0A7A7.xml 1-acyl-sn-glycerol-3-phosphate acyltransferase P26647 PLSC_ECOLI plsC http://ecmdb.ca/proteins/P26647.xml acyl-[acp] + Glycerol 3-phosphate > a holo-[acyl-carrier protein] + LPA(18:0/0:0) PW_R003734 long-chain fatty acyl-CoA + Glycerol 3-phosphate > Coenzyme A + LPA(18:0/0:0) PW_R003735 acyl-[acp] + LPA(18:0/0:0) > PA(18:0/18:0) + a holo-[acyl-carrier protein] PW_R003736 long-chain fatty acyl-CoA + LPA(18:0/0:0) > PA(18:0/18:0) + Coenzyme A PW_R003737