1.0 2016-09-30 23:28:36 UTC 2020-05-11 18:26:06 UTC BMDB0007005 BMDB07005 CPA(18:1(11Z)/0:0) 1-(11Z-Octadecenoyl)-cyclophosphatidic acid 1-Vaccenoyl-glycero-3-cyclophosphate CPA(18:1) CPA(18:1/0:0) CPA(18:1n7/0:0) CPA(18:1W7/0:0) Cyclic phosphatidic acid(18:1) Cyclic phosphatidic acid(18:1/0:0) Cyclic phosphatidic acid(18:1n7/0:0) Cyclic phosphatidic acid(18:1W7/0:0) (2-Hydroxy-2-oxo-1,3,2λ⁵-dioxaphospholan-4-yl)methyl (11Z)-octadec-11-enoic acid C21H39O6P 418.5045 418.248425492 (2-hydroxy-2-oxo-1,3,2λ⁵-dioxaphospholan-4-yl)methyl (11Z)-octadec-11-enoate (2-hydroxy-2-oxo-1,3,2λ⁵-dioxaphospholan-4-yl)methyl (11Z)-octadec-11-enoate CCCCCC\C=C/CCCCCCCCCC(=O)OCC1COP(O)(=O)O1 InChI=1S/C21H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-18-20-19-26-28(23,24)27-20/h7-8,20H,2-6,9-19H2,1H3,(H,23,24)/b8-7- AXUULXHJKNFQON-FPLPWBNLSA-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 5.66 ALOGPS logs -5.29 ALOGPS logp 6.38 ChemAxon pka_strongest_acidic 1.84 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2-hydroxy-2-oxo-1,3,2λ⁵-dioxaphospholan-4-yl)methyl (11Z)-octadec-11-enoate ChemAxon average_mass 418.5045 ChemAxon mono_mass 418.248425492 ChemAxon smiles CCCCCC\C=C/CCCCCCCCCC(=O)OCC1COP(O)(=O)O1 ChemAxon formula C21H39O6P ChemAxon inchi InChI=1S/C21H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-18-20-19-26-28(23,24)27-20/h7-8,20H,2-6,9-19H2,1H3,(H,23,24)/b8-7- ChemAxon inchikey AXUULXHJKNFQON-FPLPWBNLSA-N ChemAxon polar_surface_area 82.06 ChemAxon refractivity 111.52 ChemAxon polarizability 48 ChemAxon rotatable_bond_count 18 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::CMs 17991 Specdb::CMs 155537 Specdb::MsMs 305857 Specdb::MsMs 305858 Specdb::MsMs 305859 Specdb::MsMs 349354 Specdb::MsMs 349355 Specdb::MsMs 349356 Specdb::MsMs 2794415 Specdb::MsMs 2794416 Specdb::MsMs 2794417 Specdb::MsMs 2883851 Specdb::MsMs 2883852 Specdb::MsMs 2883853 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 24766508 53477946 FDB024199 170119