Ketcher 05311711382D 1 1.00000 0.00000 0 56 55 0 1 0 999 V2000 21.5914 -4.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7284 -3.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8650 -4.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0021 -3.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0021 -2.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0902 -4.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0924 -4.9265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1390 -4.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4546 -3.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3178 -4.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4547 -4.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3179 -4.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1812 -4.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0444 -4.5826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5459 -3.7143 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.1064 -4.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5459 -2.8054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1884 -5.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1884 -6.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3253 -4.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4557 -5.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5858 -4.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7159 -5.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8459 -4.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9759 -5.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1061 -4.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2361 -5.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3662 -4.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4962 -5.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6263 -4.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7563 -5.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8864 -5.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0164 -4.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1466 -5.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2766 -4.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4066 -5.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5367 -4.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6668 -5.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7968 -4.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 -5.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2694 -3.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3993 -4.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5294 -3.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6594 -4.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7896 -3.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9196 -4.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0496 -3.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1797 -4.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3097 -3.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4398 -4.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 -3.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6998 -4.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8299 -3.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9601 -4.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0901 -3.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2201 -4.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 4 8 1 0 0 0 1 7 1 6 0 0 1 6 1 1 0 0 9 1 1 0 0 0 10 9 1 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 15 11 1 0 0 0 15 16 1 0 0 0 15 17 2 0 0 0 18 19 2 0 0 0 18 20 1 0 0 0 18 7 1 0 0 0 15 10 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 8 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 M END > CHEBI:137217 > PE(18:0/22:1(13Z)) > 2 > 1-octadecanoyl-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine > C45H88NO8P > 802.158 > 801.62476 > 0 > [C@](COC(=O)CCCCCCCCCCCCCCCCC)(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)([H])COP(OCCN)(O)=O > InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,43H,3-16,18,20-42,46H2,1-2H3,(H,49,50)/b19-17-/t43-/m1/s1 > KVCSFWAPYZJNRB-RPBJOJELSA-N > LMGP02010151 $$$$