CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) Mrv1652312212105262D 112111 0 0 1 0 999 V2000 28.9801 -8.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3984 -7.9046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.9258 -6.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4528 -9.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3440 -5.9830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6598 -4.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6987 -5.2740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7374 -4.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6210 -5.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7762 -5.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8926 -6.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4795 -6.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.8473 -4.8685 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 29.9759 -5.1901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8473 -3.5722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9410 -9.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9798 -9.8262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0186 -9.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9022 -9.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0574 -9.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1458 -10.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7327 -10.7128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1285 -9.3528 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.1285 -8.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7090 -10.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5639 -7.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0617 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0617 -4.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3476 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6335 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9194 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2053 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4912 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7770 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0629 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3488 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5238 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8097 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0956 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3815 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6674 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9532 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2391 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5250 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8109 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1782 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1782 -7.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4641 -6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7500 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0358 -6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2108 -6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4967 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7826 -6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9576 -6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2435 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5294 -6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7044 -6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9903 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2762 -6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4512 -6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7371 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0229 -6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1980 -6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4839 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7698 -6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0557 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3415 -6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6274 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3430 -9.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3430 -8.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6288 -9.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9147 -9.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2006 -9.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4865 -9.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7723 -9.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0582 -9.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3441 -9.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6300 -9.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9159 -9.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2018 -9.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3768 -9.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6627 -9.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9485 -9.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1235 -9.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4094 -9.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6953 -9.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9812 -9.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2671 -9.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5530 -9.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4314 -11.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4314 -11.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7173 -10.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0032 -11.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2890 -10.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4641 -10.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7500 -11.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0359 -10.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2109 -10.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4968 -11.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7826 -10.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9576 -10.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2435 -11.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5294 -10.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7044 -10.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9903 -11.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2762 -10.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4512 -10.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7371 -11.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0230 -10.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3089 -11.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -10.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8806 -11.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 26 1 6 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 7 6 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 1 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 10 27 1 0 0 0 0 11 46 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 5 1 0 0 0 0 13 9 1 0 0 0 0 17 16 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 1 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 20 69 1 0 0 0 0 21 90 1 0 0 0 0 23 4 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 19 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 69 70 2 0 0 0 0 69 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 2 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 2 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 90 91 2 0 0 0 0 90 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 2 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 2 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 2 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 2 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106107 2 0 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 M END > HMDB0316790 > hmdb > [H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OC[C@H](O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C91H152O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-39,42-43,45-47,53-54,57-58,65-66,69-70,85-87,92H,5-20,24,28-32,40-41,44,48-52,55-56,59-64,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,57-53-,58-54-,69-65-,70-66-/t85-,86-,87-/m1/s1 > HONCQCHXPXBZJW-ACUMQMGASA-N > C91H152O17P2 > 1580.148 > 1579.05047743 > 9 > 262 > 186.39403384203675 > 0 > 3 > 0 > 0 > [(2S)-3-({[(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphinic acid > 9.29 > 27.010371494666664 > -7.30 > 0 > 0 > -2 > 2.1918043581676208 > 1.589737614265009 > -3.4105029523385797 > 236.95 > 467.43549999999965 > 83 > 0 > 7.94e-05 g/l > (2S)-3-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy)phosphinic acid > 0 > HMDB0316790 > CL(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) $$$$