1.0 2016-10-03 18:13:45 UTC 2020-04-22 15:42:59 UTC BMDB0011155 BMDB11155 PA(P-16:0e/18:2(9Z,12Z)) 2-(9Z,12Z-Octadecadienoyl)-1-(1Z-hexadecenyl)-sn-glycero-3-phosphate 1-(1Z-Hexadecenyl)-2-linoleoyl-sn-glycero-3-phosphate 1-(1Z-Hexadecenyl)-2-linoleoyl-sn-phosphatidic acid PA(16:1/18:2) PA(34:3) PA(O-16:1(1Z)/18:2(9Z,12Z)) PA(O-16:1(1Z)/18:2N6) PA(O-16:1(1Z)/18:2W6) PA(P-16:0/18:2N6) PA(P-16:0/18:2W6) Phosphatidate(16:1/18:2) Phosphatidate(34:3) Phosphatidate(O-16:1(1Z)/18:2(9Z,12Z)) Phosphatidate(O-16:1(1Z)/18:2N6) Phosphatidate(O-16:1(1Z)/18:2W6) Phosphatidate(P-16:0/18:2(9Z,12Z)) Phosphatidate(P-16:0/18:2N6) Phosphatidate(P-16:0/18:2W6) Phosphatidic acid(16:1/18:2) Phosphatidic acid(34:3) Phosphatidic acid(O-16:1(1Z)/18:2(9Z,12Z)) Phosphatidic acid(O-16:1(1Z)/18:2n6) Phosphatidic acid(O-16:1(1Z)/18:2W6) Phosphatidic acid(p-16:0/18:2(9Z,12Z)) Phosphatidic acid(p-16:0/18:2n6) Phosphatidic acid(p-16:0/18:2W6) PA(P-16:0/18:2(9Z,12Z)) C37H69O7P 656.9133 656.478091074 [(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphonic acid (2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphonic acid 937723-92-7 CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C37H69O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,31,33,36H,3-10,12,14-16,18,20-30,32,34-35H2,1-2H3,(H2,39,40,41)/b13-11-,19-17-,33-31-/t36-/m1/s1 OLCTYLMZTXKGKH-BBNWHMLASA-N belongs to the class of organic compounds known as 1-(1z-alkenyl),2-acyl-glycerophosphates. These are glycerophosphates that carry exactly one acyl chain attached to the glycerol moiety through an ester linkage at the O2-position, and one 1Z-alkenyl chain attached through an ether linkage at the O1-position. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1-(1Z-alkenyl),2-acyl-glycerophosphates Carbonyl compounds Carboxylic acid esters Fatty acid esters Glycerol vinyl ethers Hydrocarbon derivatives Monoalkyl phosphates Monocarboxylic acids and derivatives Organic oxides 1-(1z-alkenyl),2-acyl-glycerol-3-phosphate Aliphatic acyclic compound Alkyl phosphate Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Glycerol vinyl ether Hydrocarbon derivative Monoalkyl phosphate Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organooxygen compound Phosphoric acid ester Aliphatic acyclic compounds 1-(1Z-alkenyl),2-acylglycerophosphates Solid logp 9.27 ALOGPS logs -6.90 ALOGPS logp 12.44 ChemAxon pka_strongest_acidic 1.32 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac [(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphonic acid ChemAxon average_mass 656.9133 ChemAxon mono_mass 656.478091074 ChemAxon smiles CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C37H69O7P ChemAxon inchi InChI=1S/C37H69O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,31,33,36H,3-10,12,14-16,18,20-30,32,34-35H2,1-2H3,(H2,39,40,41)/b13-11-,19-17-,33-31-/t36-/m1/s1 ChemAxon inchikey OLCTYLMZTXKGKH-BBNWHMLASA-N ChemAxon polar_surface_area 102.29 ChemAxon refractivity 190.35 ChemAxon polarizability 79.89 ChemAxon rotatable_bond_count 35 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 Specdb::NmrOneD 335278 Specdb::NmrOneD 335279 Specdb::NmrOneD 335280 Specdb::NmrOneD 335281 Specdb::NmrOneD 335282 Specdb::NmrOneD 335283 Specdb::NmrOneD 335284 Specdb::NmrOneD 335285 Specdb::NmrOneD 335286 Specdb::NmrOneD 335287 Specdb::NmrOneD 335288 Specdb::NmrOneD 335289 Specdb::NmrOneD 335290 Specdb::NmrOneD 335291 Specdb::NmrOneD 335292 Specdb::NmrOneD 335293 Specdb::NmrOneD 335294 Specdb::NmrOneD 335295 Specdb::NmrOneD 335296 Specdb::NmrOneD 335297 Specdb::CMs 16361 Specdb::MsMs 27023 Specdb::MsMs 27024 Specdb::MsMs 27025 Specdb::MsMs 33581 Specdb::MsMs 33582 Specdb::MsMs 33583 Specdb::MsMs 2456202 Specdb::MsMs 2456203 Specdb::MsMs 2456204 Specdb::MsMs 2478997 Specdb::MsMs 2478998 Specdb::MsMs 2478999 24766521 52929743 FDB027930 C15647