1.0 2016-10-03 18:13:42 UTC 2020-05-11 20:42:14 UTC BMDB0011152 BMDB11152 PE(P-16:0e/0:0) 1-(1Z-Hexadecenyl)-lysophosphatidylethanolamine 1-(1Z-Hexadecenyl)-sn-glycero-3-phosphoethanolamine LPE(16:1) LPE(p-16:0) LPE(p-16:0/0:0) Lysophosphatidylethanolamine(16:1) Lysophosphatidylethanolamine(p-16:0) Lysophosphatidylethanolamine(p-16:0/0:0) LysoPE(16:1) LysoPE(p-16:0) LysoPE(O-16:1(1Z)) LysoPE(O-16:1(1Z)/0:0) 1-(1Z-Hexadecenyl)-gpe GPE(16:1) GPE(O-16:1(1Z)) GPE(O-16:1(1Z)/0:0) GPE(p-16:0) GPE(p-16:0/0:0) LPE(O-16:1(1Z)) LPE(O-16:1(1Z)/0:0) Lysophosphatidylethanolamine(O-16:1(1Z)) Lysophosphatidylethanolamine(O-16:1(1Z)/0:0) 1-(1-Enyl-palmitoyl)-gpe LysoPE(P-16:0/0:0) C21H44NO6P 437.5509 437.290624657 (2-aminoethoxy)[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-hydroxypropoxy]phosphinic acid 2-aminoethoxy((2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-hydroxypropoxy)phosphinic acid 174062-72-7 [H][C@@](O)(CO\C=C/CCCCCCCCCCCCCC)COP(O)(=O)OCCN InChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-19-21(23)20-28-29(24,25)27-18-16-22/h15,17,21,23H,2-14,16,18-20,22H2,1H3,(H,24,25)/b17-15-/t21-/m1/s1 QYTPGOPLNFESQC-NUTQULCTSA-N belongs to the class of organic compounds known as 1-(1z-alkenyl)-glycero-3-phosphoethanolamines. These are glycerophosphoglycerophosphates that carry exactly one 1Z-alkenyl chain attached to the glycerol moiety through an ether linkage. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1-(1Z-alkenyl)-glycero-3-phosphoethanolamines Dialkyl phosphates Glycerol vinyl ethers Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Phosphoethanolamines Secondary alcohols 1-(1z-alkenyl)-glycero-3-phosphoethanolamine 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 Organonitrogen compound Organooxygen compound Organopnictogen compound Phosphoethanolamine Phosphoric acid ester Primary aliphatic amine Primary amine Secondary alcohol Aliphatic acyclic compounds 1Z-alkenylglycerophosphoethanolamines Solid logp 4.63 ALOGPS logs -5.23 ALOGPS logp 3.92 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 10 ChemAxon iupac (2-aminoethoxy)[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-hydroxypropoxy]phosphinic acid ChemAxon average_mass 437.5509 ChemAxon mono_mass 437.290624657 ChemAxon smiles [H][C@@](O)(CO\C=C/CCCCCCCCCCCCCC)COP(O)(=O)OCCN ChemAxon formula C21H44NO6P ChemAxon inchi InChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-19-21(23)20-28-29(24,25)27-18-16-22/h15,17,21,23H,2-14,16,18-20,22H2,1H3,(H,24,25)/b17-15-/t21-/m1/s1 ChemAxon inchikey QYTPGOPLNFESQC-NUTQULCTSA-N ChemAxon polar_surface_area 111.24 ChemAxon refractivity 117.75 ChemAxon polarizability 50.65 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 24932 Specdb::CMs 39567 Specdb::CMs 163756 Specdb::MsMs 321232 Specdb::MsMs 321233 Specdb::MsMs 321234 Specdb::MsMs 368800 Specdb::MsMs 368801 Specdb::MsMs 368802 Specdb::MsMs 2499173 Specdb::MsMs 2499174 Specdb::MsMs 2499175 Specdb::NmrOneD 317701 Specdb::NmrOneD 317702 Specdb::NmrOneD 317703 Specdb::NmrOneD 317704 Specdb::NmrOneD 317705 Specdb::NmrOneD 317706 Specdb::NmrOneD 317707 Specdb::NmrOneD 317708 Specdb::NmrOneD 317709 Specdb::NmrOneD 317710 Specdb::NmrOneD 317711 Specdb::NmrOneD 317712 Specdb::NmrOneD 317713 Specdb::NmrOneD 317714 Specdb::NmrOneD 317715 Specdb::NmrOneD 317716 Specdb::NmrOneD 317717 Specdb::NmrOneD 317718 Specdb::NmrOneD 317719 Specdb::NmrOneD 317720 Placenta 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 24769219 42607469 FDB027927