Mrv1572004261610572D 73 72 0 0 1 0 999 V2000 19.4314 -4.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0966 3.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5453 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6894 -5.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7118 -7.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0034 -4.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4754 2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7746 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2466 1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3466 -2.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1178 -1.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 0.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3170 -1.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5839 0.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0882 -0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8127 -0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2873 -0.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6136 -0.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7153 -1.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8424 -1.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9144 -1.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3424 -1.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6432 -1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5415 -1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9695 -2.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 -2.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1687 -1.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5966 -2.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5288 -3.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7958 -2.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3297 -3.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2237 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9017 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4229 -2.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7025 -3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8509 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2746 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5229 -5.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7210 -5.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0203 -2.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6771 -3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4483 -2.6597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -3.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0754 -3.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1173 -6.5556 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.4780 -3.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -3.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5627 -5.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5413 -5.0683 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.8212 -2.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1265 -4.6107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1051 -4.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6475 -2.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3339 -4.8395 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.9737 -3.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 1.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1475 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1263 2.0961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7449 -2.2634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1559 1.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6602 -0.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2407 -0.8763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9441 -2.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2703 -1.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6856 -0.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2153 -0.8763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3127 -0.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1983 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8254 -3.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5670 -1.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2492 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 11 9 2 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 15 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 20 2 0 0 0 0 23 22 1 0 0 0 0 24 21 2 0 0 0 0 25 23 1 0 0 0 0 26 25 2 0 0 0 0 27 24 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 2 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 41 40 1 0 0 0 0 44 42 1 0 0 0 0 44 43 1 0 0 0 0 45 38 1 0 0 0 0 46 39 1 0 0 0 0 47 3 1 0 0 0 0 47 4 1 0 0 0 0 47 5 1 0 0 0 0 47 40 1 0 0 0 0 48 45 2 0 0 0 0 49 46 2 0 0 0 0 52 42 1 0 0 0 0 52 45 1 0 0 0 0 53 41 1 0 0 0 0 54 43 1 0 0 0 0 44 55 1 1 0 0 0 55 46 1 0 0 0 0 56 50 2 0 0 0 0 56 51 1 0 0 0 0 56 53 1 0 0 0 0 56 54 1 0 0 0 0 57 8 1 0 0 0 0 58 9 1 0 0 0 0 59 10 1 0 0 0 0 60 11 1 0 0 0 0 61 14 1 0 0 0 0 62 15 1 0 0 0 0 63 16 1 0 0 0 0 64 17 1 0 0 0 0 65 20 1 0 0 0 0 66 21 1 0 0 0 0 67 22 1 0 0 0 0 68 24 1 0 0 0 0 69 25 1 0 0 0 0 70 26 1 0 0 0 0 71 30 1 0 0 0 0 72 32 1 0 0 0 0 44 73 1 1 0 0 0 M CHG 2 47 1 51 -1 M END > CHEM037822 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C46H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,30,32,44H,6-7,12-13,18-19,23,27-29,31,33-43H2,1-5H3/b10-8+,11-9+,16-14+,17-15+,22-20+,24-21+,26-25+,32-30+/t44-/m1/s1 > VYIXUVZBGLOKLY-KMFSVRSMSA-N > C46H76NO8P > 802.087 > 801.530855409 > 4 > 132 > 93.96308353388258 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 5.29 > 7.885835115861585 > -7.37 > 0 > 0 > 0 > 1.8550572064467632 > -6.744219009617128 > 111.19000000000001 > 252.40390000000008 > 38 > 0 > 3.63e-05 g/l > (2-{[(2R)-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) $$$$