LMGP20020005 LIPID_MAPS_STRUCTURE_DATABASE 52 51 0 0 0 0 0 0 0 0999 V2000 19.6263 7.0913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9075 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1886 7.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0418 6.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2108 6.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3452 7.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0639 7.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8436 7.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5623 6.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2813 7.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 6.6590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0867 7.3821 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 21.7207 6.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0867 8.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4640 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7396 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0152 7.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2908 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5664 7.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8420 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1176 7.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3932 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6688 7.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9444 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2200 7.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4956 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7712 7.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0468 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3224 7.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5980 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7392 5.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7392 5.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1180 6.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3893 5.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6605 6.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9317 5.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2029 5.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4741 6.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7453 5.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0166 5.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2878 6.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5590 5.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8303 6.3027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1014 5.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3727 6.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6438 6.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9151 5.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1863 6.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4575 5.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7287 6.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8303 6.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 8 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 7 1 0 0 0 0 3 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 43 52 1 6 0 0 0 31 5 1 0 0 0 0 M END > LMGP20020005 > PE P-16:0/20:4(5Z,8Z,10E,14Z)(12OH[S]) > 1-O-(1Z-hexadecenyl)-2-(12S-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine > C41H74NO8P > 739.52 > Glycerophospholipids [GP] > Oxidized glycerophospholipids [GP20] > Oxidized glycerophosphoethanolamines [GP2002] > - > 16:0p/12-HETE-PE; PE(P-38:4(OH)); PE(P-16:0/20:4(OH)) > MOFSRTWFULYXNI-UWLBFGBLSA-N > InChI=1S/C41H74NO8P/c1-3-5-7-9-11-12-13-14-15-16-19-22-26-30-35-47-37-40(38-49-51(45,46)48-36-34-42)50-41(44)33-29-25-21-18-17-20-24-28-32-39(43)31-27-23-10-8-6-4-2/h18,20-21,23-24,27-28,30,32,35,39-40,43H,3-17,19,22,25-26,29,31,33-34,36-38,42H2,1-2H3,(H,45,46)/b21-18-,24-20-,27-23-,32-28+,35-30-/t39-,40+/m0/s1 > [C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCCCC > - > - > 137869 > PE O-36:5;O > - > - > 52929787 > - > Glycerophospholipids [GP] > Glycerophosphoethanolamines [GP02] > 1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203] > - > 9606; 10090 > 20061396; 19531470 $$$$