1.0 2016-09-30 23:28:33 UTC 2020-05-11 18:26:04 UTC BMDB0007003 BMDB07003 CPA(16:0/0:0) 1-Hexadecanoyl-cyclophosphatidic acid 1-Palmitoyl-glycero-3-cyclophosphate CPA(16:0) Cyclic phosphatidic acid(16:0) Cyclic phosphatidic acid(16:0/0:0) (2-Hydroxy-2-oxo-1,3,2λ⁵-dioxaphospholan-4-yl)methyl hexadecanoic acid C19H37O6P 392.4672 392.232775428 (2-hydroxy-2-oxo-1,3,2λ⁵-dioxaphospholan-4-yl)methyl hexadecanoate (2-hydroxy-2-oxo-1,3,2λ⁵-dioxaphospholan-4-yl)methyl hexadecanoate CCCCCCCCCCCCCCCC(=O)OCC1COP(O)(=O)O1 InChI=1S/C19H37O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(20)23-16-18-17-24-26(21,22)25-18/h18H,2-17H2,1H3,(H,21,22) WLYRJURLXSFXRK-UHFFFAOYSA-N belongs to the class of organic compounds known as 1-acyl-sn-glycerol-2,3-cyclic-phosphates. These are monoacylglycerophosphates consisting of a sn-glycerol 2,3-cyclic phosphate that carries an acyl group at the 1-position. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1-acyl-sn-glycerol-2,3-cyclic-phosphates Carbonyl compounds Carboxylic acid esters Dioxaphospholanes Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic phosphoric acids and derivatives Oxacyclic compounds 1,3_dioxaphospholane 1-acyl-sn-glycerol-2,3-cyclic-phosphate Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organooxygen compound Oxacycle Aliphatic heteromonocyclic compounds Solid logp 5.12 ALOGPS logs -5.12 ALOGPS logp 5.86 ChemAxon pka_strongest_acidic 1.84 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2-hydroxy-2-oxo-1,3,2λ⁵-dioxaphospholan-4-yl)methyl hexadecanoate ChemAxon average_mass 392.4672 ChemAxon mono_mass 392.232775428 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OCC1COP(O)(=O)O1 ChemAxon formula C19H37O6P ChemAxon inchi InChI=1S/C19H37O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(20)23-16-18-17-24-26(21,22)25-18/h18H,2-17H2,1H3,(H,21,22) ChemAxon inchikey WLYRJURLXSFXRK-UHFFFAOYSA-N ChemAxon polar_surface_area 82.06 ChemAxon refractivity 101.2 ChemAxon polarizability 45.41 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 298582 Specdb::MsMs 298583 Specdb::MsMs 298584 Specdb::MsMs 340381 Specdb::MsMs 340382 Specdb::MsMs 340383 Specdb::MsMs 2321353 Specdb::MsMs 2321354 Specdb::MsMs 2321355 Specdb::MsMs 2614623 Specdb::MsMs 2614624 Specdb::MsMs 2614625 Specdb::CMs 14748 Specdb::CMs 135690 Specdb::CMs 143424 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 7977702 9801940 FDB024197 170100