LMGP20020065 LIPID_MAPS_STRUCTURE_DATABASE 55 54 0 0 0 999 V2000 -2.0840 0.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9431 1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8025 0.5541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5872 -0.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5805 -0.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2247 1.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 0.5541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6212 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4806 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3398 0.0373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8573 0.9017 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 0.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8573 1.8065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0506 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0506 -2.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9074 -0.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7646 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6217 -0.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4788 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3360 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1931 -0.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0503 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9074 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7644 -0.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6216 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4787 -0.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3359 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1930 -0.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0501 -0.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9074 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7644 -0.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6217 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4786 -0.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.3358 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4787 0.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7006 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7006 2.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5685 0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4368 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3050 0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1733 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0416 0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9099 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7782 0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6465 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5147 0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3830 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2513 0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1196 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9879 0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8561 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7244 0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5927 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4610 0.5289 0.0000 C 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 15 16 2 0 0 0 0 15 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 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 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 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 27 36 2 0 0 0 5 15 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 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 1 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 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 3 37 1 0 0 0 0 M END > LMGP20020065 > PE 18:0/20:4(5Z,8Z,10E,14Z)(12Ke) > 1-octadecanoyl-2-(12-oxo-5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine > C43H76NO9P > 781.53 > Glycerophospholipids [GP] > Oxidized glycerophospholipids [GP20] > Oxidized glycerophosphoethanolamines [GP2002] > - > 18:0/12-KETE-PE > VPCFQLHMLBMUIL-HEUKMSAXSA-N > InChI=1S/C43H76NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-22-26-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-27-23-20-19-21-25-29-33-40(45)32-28-24-10-8-6-4-2/h20-21,23-25,28-29,33,41H,3-19,22,26-27,30-32,34-39,44H2,1-2H3,(H,48,49)/b23-20-,25-21-,28-24-,33-29+/t41-/m1/s1 > [C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\C/C=C\C=C\C(=O)C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O > - > - > - > PE 38:5;O > - > - > - > - > Glycerophospholipids [GP] > Glycerophosphoethanolamines [GP02] > Diacylglycerophosphoethanolamines [GP0201] > - > 10090 > 23060450 $$$$