Mrv0541 02231222492D 65 64 0 0 1 0 999 V2000 19.8341 -8.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1289 -9.0256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4237 -8.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5393 -9.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7186 -9.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1289 -9.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2444 -8.6185 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.6516 -9.3236 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 20.8373 -7.9132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9496 -8.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6548 -8.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3600 -8.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0652 -8.6185 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 23.6580 -9.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7178 -7.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7703 -9.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5711 -9.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2856 -8.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0001 -9.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7146 -8.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4291 -9.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1435 -8.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 -9.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5725 -8.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2869 -9.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0015 -8.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7159 -9.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4304 -8.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1449 -9.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8593 -8.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5738 -9.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2883 -8.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0027 -9.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7173 -8.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4317 -9.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1462 -8.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8607 -9.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5751 -8.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2896 -9.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0041 -8.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0041 -7.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4104 -9.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1249 -10.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8394 -9.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 -10.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2683 -9.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9828 -10.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6973 -10.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4117 -9.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1262 -10.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8407 -10.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5552 -9.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2697 -10.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9841 -10.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6986 -9.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4131 -10.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1275 -10.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8421 -9.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5565 -10.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2710 -9.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9855 -10.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6999 -9.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4144 -10.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4144 -11.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9868 -9.4581 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 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 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 1 0 0 0 0 27 28 1 0 0 0 0 28 29 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 0 0 0 0 34 35 1 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 5 1 0 0 0 0 40 41 2 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 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 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 6 1 0 0 0 0 63 64 2 0 0 0 0 2 65 1 1 0 0 0 M CHG 2 8 -1 13 1 M END > HMDB0008778 > hmdb > CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C54H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,31,35,37,52H,6-14,16,18-20,22,24-27,29-30,32-34,36,38-51H2,1-5H3/b17-15-,23-21-,31-28-,37-35-/t52-/m1/s1 > LMQDDSJZOXQNEU-XTEQLSQDSA-N > C54H100NO8P > 922.3475 > 921.718655693 > 4 > 115.44606252938061 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(tetracosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium > 7.09 > 12.890071062528254 > -7.58 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159316060262 > 111.19 > 284.74550000000005 > 50 > 0 > 2.60e-05 g/l > lecithin > 0 > HMDB0008778 > PC(24:0/22:4(7Z,10Z,13Z,16Z)) > 1-Lignoceroyl-2-adrenoyl-sn-glycero-3-phosphocholine; GPCho(24:0/22:4); GPCho(24:0/22:4n6); GPCho(24:0/22:4w6); GPCho(46:4); Lecithin; PC(24:0/22:4); PC(24:0/22:4n6); PC(24:0/22:4w6); PC(46:4); Phosphatidylcholine(24:0/22:4); Phosphatidylcholine(24:0/22:4n6); Phosphatidylcholine(24:0/22:4w6); Phosphatidylcholine(46:4) $$$$