Mrv0541 02241201232D 52 51 0 0 1 0 999 V2000 23.0654 -13.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3602 -13.5140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6550 -13.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7706 -13.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9499 -13.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4757 -13.1069 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.8829 -13.8121 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 24.0686 -12.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1809 -12.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8861 -13.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5913 -12.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2965 -13.1069 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 26.8893 -13.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9491 -12.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0016 -13.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6761 -14.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0216 -13.9367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8155 -14.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5300 -14.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2445 -14.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9590 -14.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6734 -14.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3880 -14.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1024 -14.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8169 -14.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5314 -14.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 -14.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9603 -14.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6748 -14.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3893 -14.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1038 -14.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8182 -14.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5327 -14.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2472 -14.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9616 -14.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9616 -15.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2328 -13.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5158 -13.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7987 -13.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0816 -13.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3646 -13.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6475 -13.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9305 -13.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2249 -13.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5078 -13.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7907 -13.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0736 -13.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3566 -13.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6396 -13.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9225 -13.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2055 -13.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4880 -13.1060 0.0000 C 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 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 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 12 14 1 0 0 0 0 12 15 1 0 0 0 0 2 16 1 6 0 0 0 2 17 1 1 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 2 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 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 1 0 0 0 0 36 35 2 0 0 0 0 16 35 1 0 0 0 0 38 37 2 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 5 37 1 0 0 0 0 M CHG 2 7 -1 12 1 M END > BMDB0011214 > bmdb > CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC > InChI=1S/C42H76NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,34,37,41H,6-7,9,11-13,15,17-19,21,23-24,26,28-33,35-36,38-40H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,37-34-/t41-/m1/s1 > DFANIYFZNIJQEP-FAVOOIQCSA-N > C42H76NO7P > 738.0291 > 737.535940303 > 4 > 88.63948904061957 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 5.74 > 7.948021723528253 > -7.33 > 0 > 0 > 0 > 1.8550574852835338 > -4.73174308460828 > 94.12 > 229.87200000000004 > 37 > 0 > 3.69e-05 g/l > (2-{[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > BMDB0011214 > PC(P-16:0/18:4(6Z,9Z,12Z,15Z)) $$$$