2.0 2012-07-30 14:55:08 -0600 2015-06-03 17:21:01 -0600 ECMDB21258 M2MDB001666 Octadecanoyl-phosphate (n-C18:0) Octadecanoyl-phosphate (n-c18:0) belongs to the class of Acyl Phosphates. These are organic compounds containing the functional group -CO-P(O)(O)OH. (inferred from compound structure) Octadecanoyl-phosphoric acid (N-C18:0) C18H35O5P 362.4413 362.222210742 (octadecanoyloxy)phosphonate octadecanoyloxyphosphonate CCCCCCCCCCCCCCCCCC(=O)OP([O-])([O-])=O InChI=1S/C18H37O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23-24(20,21)22/h2-17H2,1H3,(H2,20,21,22)/p-2 MAMGRWPRCADEJL-UHFFFAOYSA-L Cytosol Membrane logp 6.38 ALOGPS logs -5.48 ALOGPS solubility 1.32e-03 g/l ALOGPS logp 6.49 ChemAxon pka_strongest_acidic 1.23 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac (octadecanoyloxy)phosphonate ChemAxon average_mass 362.4413 ChemAxon mono_mass 362.222210742 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)OP([O-])([O-])=O ChemAxon formula C18H35O5P ChemAxon inchi InChI=1S/C18H37O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23-24(20,21)22/h2-17H2,1H3,(H2,20,21,22)/p-2 ChemAxon inchikey MAMGRWPRCADEJL-UHFFFAOYSA-L ChemAxon polar_surface_area 89.49 ChemAxon refractivity 95.2 ChemAxon polarizability 42.65 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge -2 ChemAxon formal_charge -2 ChemAxon Specdb::NmrOneD 315781 Specdb::NmrOneD 315782 Specdb::NmrOneD 315783 Specdb::NmrOneD 315784 Specdb::NmrOneD 315785 Specdb::NmrOneD 315786 Specdb::NmrOneD 315787 Specdb::NmrOneD 315788 Specdb::NmrOneD 315789 Specdb::NmrOneD 315790 Specdb::NmrOneD 315791 Specdb::NmrOneD 315792 Specdb::NmrOneD 315793 Specdb::NmrOneD 315794 Specdb::NmrOneD 315795 Specdb::NmrOneD 315796 Specdb::NmrOneD 315797 Specdb::NmrOneD 315798 Specdb::NmrOneD 315799 Specdb::NmrOneD 315800 Specdb::MsMs 26123 Specdb::MsMs 26124 Specdb::MsMs 26125 Specdb::MsMs 32681 Specdb::MsMs 32682 Specdb::MsMs 32683 Acylphosphatase P0AB65 ACYP_ECOLI yccX http://ecmdb.ca/proteins/P0AB65.xml Phosphate acyltransferase P27247 PLSX_ECOLI plsX http://ecmdb.ca/proteins/P27247.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 Hydrogen ion + Octadecanoyl-ACP (n-C18:0ACP) + Phosphate > acyl carrier protein + Octadecanoyl-phosphate (n-C18:0) Water + Octadecanoyl-phosphate (n-C18:0) >2 Hydrogen ion + Octadecanoate (N-C18:0) + Phosphate Glycerol 3-phosphate + Octadecanoyl-phosphate (n-C18:0) > 1-Octadecanoyl-sn-glycerol 3-phosphate + Hydrogen ion + Phosphate