Mrv1572004261610532D 77 76 0 0 1 0 999 V2000 7.0351 -4.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3082 -1.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4861 -6.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7936 -5.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6431 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9262 -4.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6545 -0.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5799 -3.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7635 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 -2.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1097 0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1247 -2.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2187 1.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0157 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5649 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6695 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8022 1.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5605 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1485 2.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7978 0.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3858 1.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6889 1.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2769 1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9262 1.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2724 0.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5142 0.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5098 1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4052 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 0.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 -0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9650 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3112 -0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6037 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4202 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4948 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7665 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7321 -3.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0038 -1.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0784 -2.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -2.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3157 -2.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5873 -1.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6366 -4.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 -4.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2455 -2.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3739 -3.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4828 -2.4983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6619 -2.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9336 -2.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1398 -5.5380 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7709 -1.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0426 -3.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -4.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6067 -5.2662 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8992 -2.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3156 -4.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3888 -3.6306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1709 -1.9951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4978 -4.4484 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -9.5261 0.4582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3470 0.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2530 -1.0515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6739 2.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4322 -1.1773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6933 0.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 -0.2337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7321 2.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3426 1.5905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9306 0.5211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3814 0.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4008 2.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6425 -0.4225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8216 -0.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7277 -0.4225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5486 -0.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1365 -3.0016 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 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 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 25 1 0 0 0 0 72 27 1 0 0 0 0 73 28 1 0 0 0 0 74 30 1 0 0 0 0 75 31 1 0 0 0 0 76 33 1 0 0 0 0 48 77 1 6 0 0 0 M CHG 2 51 1 55 -1 M END > CHEM037802 > 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)CCCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C50H84NO8P/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/h9,11,14-17,20-23,25,27-28,30-31,33,48H,6-8,10,12-13,18-19,24,26,29,32,34-47H2,1-5H3/b11-9+,16-14+,17-15+,22-20+,23-21+,27-25+,30-28+,33-31+/t48-/m1/s1 > UNMRLNPWTKODJB-UEWWUYFPSA-N > C50H84NO8P > 858.195 > 857.593455667 > 4 > 144 > 102.57965594496393 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoyloxy]-3-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 5.91 > 9.664109775861585 > -7.45 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159316084171 > 111.19000000000001 > 270.80789999999996 > 42 > 0 > 3.21e-05 g/l > (2-{[(2R)-2-[(7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoyloxy]-3-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) $$$$