Mrv1652303132023242D 57 56 0 0 1 0 999 V2000 25.9137 -8.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2084 -8.6621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.5033 -8.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6188 -8.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7981 -8.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2084 -9.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3240 -8.2550 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.7312 -8.9602 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 26.9169 -7.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0292 -7.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7343 -8.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4396 -7.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1447 -8.2550 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 29.7375 -8.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7973 -7.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8499 -8.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9376 -8.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6520 -8.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3665 -8.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0810 -8.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7954 -8.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5100 -8.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2244 -8.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9389 -8.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6534 -8.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3678 -8.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0823 -8.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7968 -8.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5113 -8.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2258 -8.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9402 -8.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6547 -8.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3692 -8.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0836 -8.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0836 -7.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9189 -9.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6332 -9.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3479 -9.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0622 -9.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7768 -9.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4912 -9.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2058 -9.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9201 -9.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6348 -9.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3491 -9.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0637 -9.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7780 -9.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4926 -9.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2070 -9.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9216 -9.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6359 -9.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3506 -9.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0649 -9.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7795 -9.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4938 -9.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4937 -10.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0663 -9.4287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 1 4 1 0 0 0 0 3 5 1 0 0 0 0 2 6 1 6 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 2 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 2 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 2 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 2 0 0 0 0 5 34 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 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 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 6 1 0 0 0 0 55 56 2 0 0 0 0 2 57 1 1 0 0 0 M CHG 2 8 -1 13 1 M END > YMDB02028 > YMDB > [H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24,28,30,44H,6-8,10,12-13,18-19,23,25-27,29,31-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,30-28-/t44-/m1/s1 > RJBUKRKXNJFIDS-MXQFTRAWSA-N > C46H80NO8P > 806.1031 > 805.562155053 > 4 > 136 > 95.12799695816969 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium > 5.71 > 8.609678429194922 > -7.45 > 0 > 0 > 0 > 1.8550572064469115 > -6.744160265632107 > 111.19 > 250.17070000000007 > 40 > 0 > 3.08e-05 g/l > (2-{[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium > 0 > YMDB02028 > PC(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) > 1-stearidonoyl-2-eicosadienoyl-sn-glycero-3-phosphocholine; GPCho(18:4/20:2); GPCho(18:4n3/20:2n6); GPCho(18:4w3/20:2w6); GPCho(38:6); Lecithin; PC(18:4/20:2); PC(18:4n3/20:2n6); PC(18:4w3/20:2w6); Phosphatidylcholine(18:4/20:2); Phosphatidylcholine(18:4n3/20:2n6); Phosphatidylcholine(18:4w3/20:2w6); Phosphatidylcholine(38:6); PC(38:6) $$$$