PC(39:0/20:2(5Z,13E)(11OH[R],9Ke,15OH[S]){8a,12b}) LIPID_MAPS_07161814002D Structure generated using tools available at www.lipidmaps.org 81 81 0 0 0 0 0 0 0 0999 V2000 -1.5990 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3133 0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0278 0.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 1.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9861 -0.5515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2119 -0.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4563 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8845 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1701 0.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5985 0.3456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3129 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0274 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7418 -0.0669 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4563 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7418 -0.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4563 -0.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8464 0.6518 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4825 0.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8464 1.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9602 -0.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9602 -1.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6745 -0.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3949 -0.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1149 -0.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8349 -0.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5549 -0.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2749 -0.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9479 -1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7381 -0.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2296 -1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7381 -2.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9479 -1.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2749 -2.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5549 -1.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8349 -2.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1149 -1.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3949 -2.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6749 -1.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9549 -2.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2349 -1.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9516 0.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9516 -2.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8349 -3.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1759 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8959 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6159 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3359 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0559 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7759 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4959 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2159 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9359 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6559 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3759 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0959 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8159 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5359 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2559 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9759 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6959 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4159 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1359 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8559 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.5759 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.2959 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.0159 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.7359 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.4559 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.1759 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.8959 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.6159 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.3359 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -26.0559 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -26.7759 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -27.4959 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.2159 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.9359 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -29.6559 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -30.3759 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -31.0959 0.7753 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 1 7 1 6 0 0 0 1 6 1 1 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 11 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 7 1 0 0 0 0 18 10 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 2 0 0 0 0 27 28 1 0 0 0 0 29 28 1 6 0 0 0 29 33 1 0 0 0 0 29 30 1 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 1 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 30 42 2 0 0 0 0 32 43 1 6 0 0 0 36 44 1 6 0 0 0 8 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 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 M CHG 2 14 1 19 -1 M END > PC(39:0/20:2(5Z,13E)(11OH[R],9Ke,15OH[S]){8a,12b}) $$$$ > LMISGP20019ELR > PC(39:0/20:2(5Z,13E)(11OH[R],9Ke,15OH[S]){8a,12b}) > 1-nonatriacontanoyl-2-PGE2-sn-glycero-3-phosphocholine > C67H126NO11P > 1151.91 > Glycerophospholipids [GP] > Oxidized glycerophospholipids [GP20] > Oxidized glycerophosphocholines [GP2001] > - > PC(59:2(OH2,Ke,ring)); PC(20:2/39:0(OH2,Ke,ring)) > - > - > - > - > - > - > - > - > - > - > - > - > Active (generated by computational methods) > - $$$$