Mrv1652303132023232D 59 58 0 0 1 0 999 V2000 18.9796 -8.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2744 -9.0943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5692 -8.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6848 -9.0943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8641 -9.0943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2744 -9.9086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3900 -8.6872 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.7971 -9.3924 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.9829 -7.9820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0951 -8.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8003 -8.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5055 -8.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2107 -8.6872 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 22.8035 -9.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8633 -7.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9158 -9.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 -8.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 -9.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4325 -8.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1469 -9.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8614 -8.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5759 -9.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2904 -8.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0049 -9.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7193 -8.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4338 -8.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1483 -9.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8627 -8.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5773 -9.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2917 -8.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0062 -9.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7207 -8.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4351 -9.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1496 -8.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1496 -7.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -9.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -10.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9848 -9.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6994 -10.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 -9.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1283 -10.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8428 -9.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5573 -10.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2717 -9.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9862 -10.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7007 -9.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4152 -10.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1297 -9.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8441 -10.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5586 -9.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2731 -10.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9875 -9.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7020 -10.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4165 -9.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1310 -10.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8455 -9.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5599 -10.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5599 -11.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0341 -9.5760 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 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 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 1 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 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 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 6 1 0 0 0 0 57 58 2 0 0 0 0 2 59 1 1 0 0 0 M CHG 2 8 -1 13 1 M END > HMDB0008117 > hmdb > [H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC > InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h21,26,46H,6-20,22-25,27-45H2,1-5H3/b26-21-/t46-/m1/s1 > VKFMYKGEBZVPJU-MLLRONJJSA-N > C48H94NO8P > 844.2356 > 843.671705501 > 4 > 152 > 105.67907029648639 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-(docosanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium > 6.42 > 11.308424042528252 > -7.73 > 0 > 0 > 0 > 1.8550572064469137 > -6.7441593091697225 > 111.19 > 253.78970000000007 > 47 > 0 > 1.66e-05 g/l > (2-{[(2R)-2-(docosanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium > 0 > HMDB0008117 > PC(18:1(9Z)/22:0) > 1-Oleoyl-2-behenoyl-sn-glycero-3-phosphocholine; GPCho(18:1/22:0); GPCho(18:1n9/22:0); GPCho(18:1w9/22:0); GPCho(40:1); Lecithin; PC aa C40:1; PC(18:1/22:0); PC(18:1n9/22:0); PC(18:1w9/22:0); PC(40:1); Phosphatidylcholine(18:1/22:0); Phosphatidylcholine(18:1n9/22:0); Phosphatidylcholine(18:1w9/22:0); Phosphatidylcholine(40:1) $$$$