Mrv1572004261614462D 74 73 0 0 1 0 999 V2000 4.0953 -5.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1158 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3653 -6.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3056 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1754 -6.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7655 -0.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4455 -7.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0446 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2556 -7.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5847 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7957 -6.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3948 0.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6058 -6.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6649 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1459 -6.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 -6.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 -1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2261 -7.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0362 -7.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5763 -6.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3865 -6.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -2.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9266 -6.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6565 -5.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1966 -4.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9349 -3.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9266 -3.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -4.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1164 -3.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0151 -4.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8464 -3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 -3.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0362 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3653 -3.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4962 -3.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9054 -3.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2485 -5.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 -5.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6058 -2.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3358 -3.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0658 -3.0138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6860 -3.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7155 -3.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8721 -5.7366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1459 -3.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9856 -4.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2862 -5.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3358 -5.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4160 -2.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8453 -4.9265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7957 -4.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2556 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0658 -5.1965 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.7155 -5.6643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0356 0.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9054 -7.6911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3146 -0.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1721 -6.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9349 0.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8759 -7.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 -1.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7044 -5.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 -1.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6860 -7.6911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3063 -5.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6565 -7.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3948 -1.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8464 -5.1965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0067 -4.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5763 -4.4170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3865 -2.3902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8759 -3.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 2 0 0 0 0 23 18 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 1 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 40 39 1 0 0 0 0 43 41 1 0 0 0 0 43 42 1 0 0 0 0 44 37 1 0 0 0 0 45 38 1 0 0 0 0 46 39 1 0 0 0 0 47 44 2 0 0 0 0 48 45 2 0 0 0 0 51 41 1 0 0 0 0 51 44 1 0 0 0 0 52 40 1 0 0 0 0 53 42 1 0 0 0 0 43 54 1 1 0 0 0 54 45 1 0 0 0 0 55 49 1 0 0 0 0 55 50 2 0 0 0 0 55 52 1 0 0 0 0 55 53 1 0 0 0 0 56 5 1 0 0 0 0 57 6 1 0 0 0 0 58 7 1 0 0 0 0 59 8 1 0 0 0 0 60 11 1 0 0 0 0 61 12 1 0 0 0 0 62 13 1 0 0 0 0 63 14 1 0 0 0 0 64 17 1 0 0 0 0 65 18 1 0 0 0 0 66 19 1 0 0 0 0 67 21 1 0 0 0 0 68 22 1 0 0 0 0 69 23 1 0 0 0 0 70 25 1 0 0 0 0 71 27 1 0 0 0 0 72 31 1 0 0 0 0 73 33 1 0 0 0 0 43 74 1 1 0 0 0 M END > CHEM039007 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=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)COP(O)(=O)OCCN > InChI=1S/C45H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27,31,33,43H,3-4,9-10,15-16,20,24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b7-5+,8-6+,13-11+,14-12+,19-17+,22-21+,23-18+,27-25+,33-31+/t43-/m1/s1 > ILBSQJFZZHCZMX-PRBUDSOPSA-N > C45H72NO8P > 786.044 > 785.49955528 > 5 > 127 > 90.12569973053758 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]propoxy]phosphinic acid > 7.92 > 10.750169769136752 > -6.92 > 0 > 0 > 0 > 1.8688003136539155 > 9.999929336362278 > 134.38000000000002 > 237.86130000000009 > 38 > 0 > 9.47e-05 g/l > 2-aminoethoxy((2R)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]propoxy)phosphinic acid > 0 > PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) $$$$