Mrv1572004261610542D 81 80 0 0 1 0 999 V2000 6.8282 -6.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0839 -1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8225 -6.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1057 -5.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9827 -6.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 -6.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4422 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2397 -5.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5706 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0097 -6.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9290 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6513 -5.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0573 1.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5229 -4.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4157 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1646 -4.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6457 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0362 -3.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0041 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2663 -3.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2342 1.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1380 -2.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1059 0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3680 -2.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7264 -2.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3359 0.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9565 -2.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2076 -0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3149 -2.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8492 -0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5449 -2.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7209 -1.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4166 -1.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6467 -1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2342 -2.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0051 -1.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4642 -3.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2351 -1.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8226 -2.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5935 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0527 -3.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8236 -1.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9455 -4.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 -5.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9995 -2.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1013 -3.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2296 -2.5879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4111 -2.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -2.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -5.5408 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5394 -1.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3103 -3.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -4.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9253 -5.3292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6411 -2.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -4.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6687 -3.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -2.0693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -4.5142 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 -5.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3405 0.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1380 -6.9591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1590 0.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7530 -4.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5440 2.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9345 -4.5883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5174 0.5978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6247 -3.6992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5926 2.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7796 -1.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7475 0.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8547 -3.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8282 -1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4377 -0.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6191 -0.5135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9033 -3.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0582 -1.1803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1334 -2.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1068 -0.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8712 -3.1065 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 21 2 0 0 0 0 24 22 1 0 0 0 0 25 24 1 0 0 0 0 26 23 1 0 0 0 0 27 25 2 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 2 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 2 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 2 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 43 41 1 0 0 0 0 45 44 1 0 0 0 0 48 46 1 0 0 0 0 48 47 1 0 0 0 0 49 42 1 0 0 0 0 50 43 1 0 0 0 0 51 3 1 0 0 0 0 51 4 1 0 0 0 0 51 5 1 0 0 0 0 51 44 1 0 0 0 0 52 49 2 0 0 0 0 53 50 2 0 0 0 0 56 46 1 0 0 0 0 56 49 1 0 0 0 0 57 45 1 0 0 0 0 58 47 1 0 0 0 0 48 59 1 6 0 0 0 59 50 1 0 0 0 0 60 54 2 0 0 0 0 60 55 1 0 0 0 0 60 57 1 0 0 0 0 60 58 1 0 0 0 0 61 8 1 0 0 0 0 62 9 1 0 0 0 0 63 10 1 0 0 0 0 64 11 1 0 0 0 0 65 14 1 0 0 0 0 66 15 1 0 0 0 0 67 16 1 0 0 0 0 68 17 1 0 0 0 0 69 20 1 0 0 0 0 70 21 1 0 0 0 0 71 22 1 0 0 0 0 72 23 1 0 0 0 0 73 25 1 0 0 0 0 74 27 1 0 0 0 0 75 28 1 0 0 0 0 76 30 1 0 0 0 0 77 31 1 0 0 0 0 78 33 1 0 0 0 0 79 37 1 0 0 0 0 80 39 1 0 0 0 0 48 81 1 6 0 0 0 M CHG 2 51 1 55 -1 M END > CHEM037805 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C([H])=C(/[H])C\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 > InChI=1S/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27-28,30-31,33,37,39,48H,6-7,12-13,18-19,24,26,29,32,34-36,38,40-47H2,1-5H3/b10-8+,11-9+,16-14+,17-15+,22-20+,23-21+,27-25+,30-28+,33-31+,39-37+/t48-/m1/s1 > NCCFWEYCQVRLBU-OHEJVONPSA-N > C50H80NO8P > 854.163 > 853.562155538 > 4 > 140 > 101.19214457586361 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 5.58 > 8.940266462528257 > -7.35 > 0 > 0 > 0 > 1.8550572063969666 > -6.745836960716003 > 111.19000000000001 > 273.0411 > 40 > 0 > 4.08e-05 g/l > (2-{[(2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) $$$$