1.0 2016-10-03 18:13:30 UTC 2020-05-21 16:29:07 UTC BMDB0011142 BMDB11142 DHAP(18:0e) Dhap(18:0E) belongs to the class of organic compounds known as o-alkylglycerone phosphates. These are glycerone-3-phosphates carrying an alkyl substituent at the 1-position. Dhap(18:0E) is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dhap(18:0E) and stearic acid can be biosynthesized from dhap(18:0) and octadecanol through the action of the enzyme dihydroxyacetone phosphate acyltransferase and alkyldihydroxyacetonephosphate synthase. In cattle, dhap(18:0E) is involved in the metabolic pathway called plasmalogen synthesis pathway. 1-Octadecyl dhap 1-Octadecyl dihdroxyacetone phosphate 1-Octadecyl-glycerone-3-phosphate Octadecyldihydroxyacetone phosphate C21H43O6P 422.5363 422.27972562 [3-(octadecyloxy)-2-oxopropoxy]phosphonic acid 3-(octadecyloxy)-2-oxopropoxyphosphonic acid CCCCCCCCCCCCCCCCCCOCC(=O)COP(O)(O)=O InChI=1S/C21H43O6P/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/h2-20H2,1H3,(H2,23,24,25) DSLZSTBYLRGPIK-UHFFFAOYSA-N belongs to the class of organic compounds known as o-alkylglycerone phosphates. These are glycerone-3-phosphates carrying an alkyl substituent at the 1-position. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds O-alkylglycerone phosphates Dialkyl ethers Hydrocarbon derivatives Monoalkyl phosphates Monosaccharide phosphates Organic oxides Aliphatic acyclic compound Alkyl phosphate Dialkyl ether Ether Hydrocarbon derivative Monoalkyl phosphate Monosaccharide Monosaccharide phosphate O-alkylglycerone phosphate Organic oxide Organic phosphoric acid derivative Phosphoric acid ester Aliphatic acyclic compounds 1-alkylglycerone 3-phosphate Solid logp 5.82 ALOGPS logs -5.52 ALOGPS logp 6.54 ChemAxon pka_strongest_acidic 1.19 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac [3-(octadecyloxy)-2-oxopropoxy]phosphonic acid ChemAxon average_mass 422.5363 ChemAxon mono_mass 422.27972562 ChemAxon smiles CCCCCCCCCCCCCCCCCCOCC(=O)COP(O)(O)=O ChemAxon formula C21H43O6P ChemAxon inchi InChI=1S/C21H43O6P/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/h2-20H2,1H3,(H2,23,24,25) ChemAxon inchikey DSLZSTBYLRGPIK-UHFFFAOYSA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 113.51 ChemAxon polarizability 50.65 ChemAxon rotatable_bond_count 22 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 Plasmalogen Synthesis SMP0087264 Specdb::CMs 12355 Specdb::CMs 136323 Specdb::CMs 144057 Specdb::MsMs 293236 Specdb::MsMs 293237 Specdb::MsMs 293238 Specdb::MsMs 333670 Specdb::MsMs 333671 Specdb::MsMs 333672 Specdb::MsMs 3050924 Specdb::MsMs 3050925 Specdb::MsMs 3050926 Specdb::MsMs 3119131 Specdb::MsMs 3119132 Specdb::MsMs 3119133 FDB027917 49791756 25996866 78163 BMDBP00212 Dihydroxyacetone phosphate acyltransferase A4IF87 GNPAT Enzyme BMDBP00800 D-2-hydroxyglutarate dehydrogenase, mitochondrial Q1JPD3 D2HGDH Enzyme