2.0 2012-07-30 14:54:40 -0600 2015-06-03 17:20:42 -0600 ECMDB21130 M2MDB001539 1-Octadec-11-enoyl-sn-glycerol 3-phosphate 1-octadec-11-enoyl-sn-glycerol 3-phosphate belongs to the class of Lysophosphatidic Acids. These are glycerophosphates where the glycerol is esterified with one saturated fatty acid. (inferred from compound structure) 1-Octadec-11-enoyl-sn-glycerol 3-phosphoric acid C21H39O7P 434.5039 434.243340114 2-hydroxy-3-(phosphonatooxy)propyl (11E)-octadec-11-enoate 2-hydroxy-3-(phosphonatooxy)propyl (11E)-octadec-11-enoate [H]\C(CCCCCC)=C(\[H])CCCCCCCCCC(=O)OCC(O)COP([O-])([O-])=O InChI=1S/C21H41O7P/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/h7-8,20,22H,2-6,9-19H2,1H3,(H2,24,25,26)/p-2/b8-7+ LWSYATLSXCUNTB-BQYQJAHWSA-L Cytosol Membrane Periplasm logp 5.56 ALOGPS logs -5.32 ALOGPS solubility 2.28e-03 g/l ALOGPS logp 5.49 ChemAxon pka_strongest_acidic 1.51 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-hydroxy-3-(phosphonatooxy)propyl (11E)-octadec-11-enoate ChemAxon average_mass 434.5039 ChemAxon mono_mass 434.243340114 ChemAxon smiles [H]\C(CCCCCC)=C(\[H])CCCCCCCCCC(=O)OCC(O)COP([O-])([O-])=O ChemAxon formula C21H39O7P ChemAxon inchi InChI=1S/C21H41O7P/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/h7-8,20,22H,2-6,9-19H2,1H3,(H2,24,25,26)/p-2/b8-7+ ChemAxon inchikey LWSYATLSXCUNTB-BQYQJAHWSA-L ChemAxon polar_surface_area 118.95 ChemAxon refractivity 113.06 ChemAxon polarizability 49.61 ChemAxon rotatable_bond_count 21 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge -2 ChemAxon formal_charge -2 ChemAxon Specdb::NmrOneD 331362 Specdb::NmrOneD 331363 Specdb::NmrOneD 331364 Specdb::NmrOneD 331365 Specdb::NmrOneD 331366 Specdb::NmrOneD 331367 Specdb::NmrOneD 331368 Specdb::NmrOneD 331369 Specdb::NmrOneD 331370 Specdb::NmrOneD 331371 Specdb::NmrOneD 331372 Specdb::NmrOneD 331373 Specdb::NmrOneD 331374 Specdb::NmrOneD 331375 Specdb::NmrOneD 331376 Specdb::NmrOneD 331377 Specdb::NmrOneD 331378 Specdb::NmrOneD 331379 Specdb::NmrOneD 331380 Specdb::NmrOneD 331381 Specdb::MsMs 22973 Specdb::MsMs 22974 Specdb::MsMs 22975 Specdb::MsMs 29771 Specdb::MsMs 29772 Specdb::MsMs 29773 CPD0-2220 Glycerol-3-phosphate acyltransferase P0A7A7 PLSB_ECOLI plsB http://ecmdb.ca/proteins/P0A7A7.xml Phospholipase A1 P0A921 PA1_ECOLI pldA http://ecmdb.ca/proteins/P0A921.xml Acyl-CoA thioesterase I P0ADA1 TESA_ECOLI tesA http://ecmdb.ca/proteins/P0ADA1.xml 1-acyl-sn-glycerol-3-phosphate acyltransferase P26647 PLSC_ECOLI plsC http://ecmdb.ca/proteins/P26647.xml Probable glycerol-3-phosphate acyltransferase P60782 PLSY_ECOLI plsY http://ecmdb.ca/proteins/P60782.xml Acyl carrier protein P0A6A8 ACP_ECOLI acpP http://ecmdb.ca/proteins/P0A6A8.xml Glycerol 3-phosphate + cis-octadec-11-enoyl-[acyl-carrier protein] (n-C18:1) > 1-Octadec-11-enoyl-sn-glycerol 3-phosphate + acyl carrier protein 1-Octadec-11-enoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate + Hydrogen ion + Octadecenoate (N-C18:1) 1-Octadec-11-enoyl-sn-glycerol 3-phosphate + cis-octadec-11-enoyl-[acyl-carrier protein] (n-C18:1) > acyl carrier protein + PA(16:0/16:0) Glycerol 3-phosphate + Octadecanoyl-phosphate (n-C18:1) > 1-Octadec-11-enoyl-sn-glycerol 3-phosphate + Hydrogen ion + Phosphate Water + PA(16:0/16:0) > 1-Octadec-11-enoyl-sn-glycerol 3-phosphate + Hydrogen ion + Octadecenoate (N-C18:1)