1.0 2016-10-03 18:06:01 UTC 2020-06-04 19:42:31 UTC BMDB0010408 BMDB10408 LysoPC(P-18:1(9Z)) 1-(1-Enyl-oleoyl)-glycero-3-phosphocholine 1-(1-Enyl-oleoyl)-GPC 1-(1-Enyl-oleoyl)-GPC (p-18:1) GPC(p-18:1) GPC(p-18:1/0:0) LPC(O-18:2(1Z,9Z)) LPC(P18:1) PC(p-18:1(9Z)/0:0) PC(p-18:1/0:0) LPC(18:1) LPC(18:1/0:0) LPC(18:1n9/0:0) LPC(18:1W9/0:0) LyPC(18:1) LyPC(18:1/0:0) LyPC(18:1n9/0:0) LyPC(18:1W9/0:0) LysoPC a C18:1 LysoPC(18:1) LysoPC(18:1/0:0) LysoPC(18:1n9/0:0) LysoPC(18:1W9/0:0) Lysophosphatidylcholine(18:1) Lysophosphatidylcholine(18:1/0:0) Lysophosphatidylcholine(18:1n9/0:0) Lysophosphatidylcholine(18:1W9/0:0) C26H52NO6P 505.6679 505.353224913 (2-{[(2R)-2-hydroxy-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium (2-{[(2R)-2-hydroxy-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium CCCCCCCC\C=C/CCCCCC\C=C/OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C InChI=1S/C26H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h12-13,20,22,26,28H,5-11,14-19,21,23-25H2,1-4H3/b13-12-,22-20-/t26-/m1/s1 KJUNGQXFZYMUOH-FKWLWHCOSA-N belongs to the class of organic compounds known as 1-(1z-alkenyl)-glycero-3-phosphocholines. These are glycerophosphocholines that carry exactly one 1Z-alkenyl chain attached at the O1 position of a glycerol moiety through an ether linkage. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 1-(1Z-alkenyl)-glycero-3-phosphocholines Amines Dialkyl phosphates Glycerol vinyl ethers Hydrocarbon derivatives Organic oxides Organic salts Organopnictogen compounds Phosphocholines Secondary alcohols Tetraalkylammonium salts 1-(1z-alkenyl)-glycero-3-phosphocholine Alcohol Aliphatic acyclic compound Alkyl phosphate Amine Dialkyl phosphate Glycerol vinyl ether Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Phosphocholine Phosphoric acid ester Quaternary ammonium salt Secondary alcohol Tetraalkylammonium salt Aliphatic acyclic compounds 1Z-alkenylglycerophosphocholines Solid logp 2.80 ALOGPS logs -6.37 ALOGPS logp 2.11 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2-{[(2R)-2-hydroxy-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium ChemAxon average_mass 505.6679 ChemAxon mono_mass 505.353224913 ChemAxon smiles CCCCCCCC\C=C/CCCCCC\C=C/OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C ChemAxon formula C26H52NO6P ChemAxon inchi InChI=1S/C26H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h12-13,20,22,26,28H,5-11,14-19,21,23-25H2,1-4H3/b13-12-,22-20-/t26-/m1/s1 ChemAxon inchikey KJUNGQXFZYMUOH-FKWLWHCOSA-N ChemAxon polar_surface_area 88.05 ChemAxon refractivity 152.93 ChemAxon polarizability 58.84 ChemAxon rotatable_bond_count 24 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 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 Specdb::MsMs 305617 Specdb::MsMs 305618 Specdb::MsMs 305619 Specdb::MsMs 349051 Specdb::MsMs 349052 Specdb::MsMs 349053 Specdb::MsMs 2317241 Specdb::MsMs 2317242 Specdb::MsMs 2317243 Specdb::MsMs 2622197 Specdb::MsMs 2622198 Specdb::MsMs 2622199 Specdb::MsMs 2703599 Specdb::MsMs 2703600 Specdb::MsMs 2703601 Specdb::CMs 17891 Specdb::CMs 39517 Specdb::NmrOneD 330882 Specdb::NmrOneD 330883 Specdb::NmrOneD 330884 Specdb::NmrOneD 330885 Specdb::NmrOneD 330886 Specdb::NmrOneD 330887 Specdb::NmrOneD 330888 Specdb::NmrOneD 330889 Specdb::NmrOneD 330890 Specdb::NmrOneD 330891 Specdb::NmrOneD 330892 Specdb::NmrOneD 330893 Specdb::NmrOneD 330894 Specdb::NmrOneD 330895 Specdb::NmrOneD 330896 Specdb::NmrOneD 330897 Specdb::NmrOneD 330898 Specdb::NmrOneD 330899 Specdb::NmrOneD 330900 Specdb::NmrOneD 330901 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 24779513 C04230 84753 24766541 FDB112263 PHOSPHATIDYLCHOLINE