Mrv1572004261610182D 69 68 0 0 1 0 999 V2000 -12.9385 -4.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1413 -5.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1284 -7.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4663 -6.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2801 -8.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2695 -3.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4724 -5.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3531 -2.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5560 -6.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6841 -2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8870 -7.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9315 -2.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9706 -7.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8479 -3.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3016 -8.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0953 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5490 -7.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0117 -4.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8801 -8.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2591 -5.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1275 -8.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5901 -4.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0438 -7.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8375 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2912 -6.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1685 -4.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2076 -6.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4159 -4.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 -5.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7469 -4.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3714 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9943 -4.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0404 -4.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3254 -4.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9567 -3.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5728 -4.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2041 -3.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9038 -4.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5352 -3.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1512 -4.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 -3.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3146 -6.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4938 -6.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0606 -3.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7756 -4.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -4.1323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4822 -3.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1136 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7974 -7.4273 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5658 -3.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1972 -4.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2739 -7.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6305 -6.3402 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7296 -4.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -6.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1066 -5.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -3.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1903 -6.2566 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 -6.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1344 -6.6911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3853 -9.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4654 -7.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1755 -5.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4585 -8.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6737 -3.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7128 -6.8359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8766 -5.6772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 -6.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -4.6151 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 1 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 1 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 21 2 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 2 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 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 40 38 1 0 0 0 0 41 39 1 0 0 0 0 43 42 1 0 0 0 0 46 44 1 0 0 0 0 46 45 1 0 0 0 0 47 40 1 0 0 0 0 48 41 1 0 0 0 0 49 3 1 0 0 0 0 49 4 1 0 0 0 0 49 5 1 0 0 0 0 49 42 1 0 0 0 0 50 47 2 0 0 0 0 51 48 2 0 0 0 0 54 44 1 0 0 0 0 54 47 1 0 0 0 0 55 43 1 0 0 0 0 56 45 1 0 0 0 0 46 57 1 6 0 0 0 57 48 1 0 0 0 0 58 52 2 0 0 0 0 58 53 1 0 0 0 0 58 55 1 0 0 0 0 58 56 1 0 0 0 0 59 9 1 0 0 0 0 60 11 1 0 0 0 0 61 15 1 0 0 0 0 62 17 1 0 0 0 0 63 20 1 0 0 0 0 64 21 1 0 0 0 0 65 22 1 0 0 0 0 66 23 1 0 0 0 0 67 27 1 0 0 0 0 68 29 1 0 0 0 0 46 69 1 6 0 0 0 M CHG 2 49 1 53 -1 M END > CHEM037633 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(/[H])CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,46H,6-8,10,12-14,16,18-19,24-26,28,30-45H2,1-5H3/b11-9+,17-15+,22-20+,23-21+,29-27+/t46-/m1/s1 > SFSJJONFWFZOGW-PGJHTYCYSA-N > C48H86NO8P > 836.189 > 835.609105731 > 4 > 144 > 103.36402895694171 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(11E)-icos-11-enoyloxy]-2-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 6.27 > 9.860737415861585 > -7.51 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159309192892 > 111.19000000000001 > 258.25610000000006 > 43 > 0 > 2.78e-05 g/l > (2-{[(2R)-3-[(11E)-icos-11-enoyloxy]-2-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) $$$$