Mrv1572004261610532D 73 72 0 0 1 0 999 V2000 1.9575 1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4003 3.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8181 9.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4700 8.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6684 9.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6316 1.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7262 3.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3806 1.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8011 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0546 1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1270 2.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8036 1.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2019 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4777 2.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5278 0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2266 1.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7789 1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9007 2.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1048 0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8258 2.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3558 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 3.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2809 1.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5320 2.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8480 4.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4571 2.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5221 4.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1311 3.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2711 4.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0562 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9452 5.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7303 4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6941 4.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6554 5.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3682 5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9064 5.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1172 4.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2324 5.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7912 5.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4834 5.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5402 4.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6197 8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4413 8.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3863 5.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5624 6.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6373 5.5408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8093 5.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2143 5.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1441 8.7283 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 18.8842 4.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1394 6.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5601 7.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6637 8.3516 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 18.0604 5.6706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9170 7.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8135 6.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9632 5.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7386 7.5300 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.5501 2.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3780 2.4274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4028 2.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6027 -0.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3015 0.8707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7040 1.9518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0769 3.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6818 0.5248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2489 3.1193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9550 2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7081 3.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8801 3.1193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3114 6.0165 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 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 1 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 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 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 9 1 0 0 0 0 62 11 1 0 0 0 0 63 14 1 0 0 0 0 64 15 1 0 0 0 0 65 16 1 0 0 0 0 66 17 1 0 0 0 0 67 20 1 0 0 0 0 68 21 1 0 0 0 0 69 22 1 0 0 0 0 70 23 1 0 0 0 0 71 28 1 0 0 0 0 72 30 1 0 0 0 0 48 73 1 6 0 0 0 M CHG 2 51 1 55 -1 M END > CHEM037801 > 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)CCCCCCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C50H88NO8P/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/h9,11,14-17,20-23,28,30,48H,6-8,10,12-13,18-19,24-27,29,31-47H2,1-5H3/b11-9+,16-14+,17-15+,22-20+,23-21+,30-28+/t48-/m1/s1 > SNSJLBQXDCXZOQ-WMCFCICLSA-N > C50H88NO8P > 862.227 > 861.624755796 > 4 > 148 > 105.01785115686982 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(13E,16E)-docosa-13,16-dienoyloxy]-3-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 6.40 > 10.38795308919492 > -7.49 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159309193598 > 111.19000000000001 > 268.57469999999995 > 44 > 0 > 2.93e-05 g/l > (2-{[(2R)-2-[(13E,16E)-docosa-13,16-dienoyloxy]-3-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z)) $$$$