Mrv1572004261613522D 70 69 0 0 1 0 999 V2000 -6.6457 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3680 -3.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4157 0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7264 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0573 -0.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8547 -4.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8272 0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2131 -5.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4688 -0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3415 -6.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3405 -1.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6998 -6.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9821 -1.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9299 -6.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8538 -2.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2883 -6.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0839 -2.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5184 -6.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9555 -3.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1856 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 -5.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5440 -3.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7741 -3.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6201 -5.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1324 -3.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 -4.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7218 -4.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7209 -3.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5935 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9509 -3.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2351 -3.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3093 -2.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1068 -2.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5394 -3.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3369 -1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0473 -5.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2323 -5.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4862 -2.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -3.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2837 -2.6833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8978 -2.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6953 -2.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5659 -5.8584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0261 -1.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8236 -3.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9162 -4.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0271 -5.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1278 -2.9056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7137 -4.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2296 -4.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9253 -2.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1013 -4.8318 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -7.9290 -1.0534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6247 -5.1282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9555 0.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 -5.0541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5706 -1.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8282 -7.4990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7521 -1.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8016 -5.5727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4422 -2.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8767 -7.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5972 -4.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0316 -5.2764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6723 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6457 -4.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1334 -4.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 -4.9059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 -3.2019 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 18 2 0 0 0 0 22 20 1 0 0 0 0 23 22 2 0 0 0 0 24 21 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 2 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 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 38 37 1 0 0 0 0 41 39 1 0 0 0 0 41 40 1 0 0 0 0 42 35 1 0 0 0 0 43 36 1 0 0 0 0 44 37 1 0 0 0 0 45 42 2 0 0 0 0 46 43 2 0 0 0 0 49 39 1 0 0 0 0 49 42 1 0 0 0 0 50 38 1 0 0 0 0 51 40 1 0 0 0 0 41 52 1 6 0 0 0 52 43 1 0 0 0 0 53 47 1 0 0 0 0 53 48 2 0 0 0 0 53 50 1 0 0 0 0 53 51 1 0 0 0 0 54 5 1 0 0 0 0 55 6 1 0 0 0 0 56 7 1 0 0 0 0 57 8 1 0 0 0 0 58 11 1 0 0 0 0 59 12 1 0 0 0 0 60 13 1 0 0 0 0 61 14 1 0 0 0 0 62 17 1 0 0 0 0 63 18 1 0 0 0 0 64 19 1 0 0 0 0 65 21 1 0 0 0 0 66 22 1 0 0 0 0 67 23 1 0 0 0 0 68 26 1 0 0 0 0 69 28 1 0 0 0 0 41 70 1 6 0 0 0 M END > CHEM038746 > 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)OCCN)OC(=O)CCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CC > InChI=1S/C43H70NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,41H,3-4,9-10,15-16,20,24-25,27,29-40,44H2,1-2H3,(H,47,48)/b7-5+,8-6+,13-11+,14-12+,19-17+,21-18+,23-22+,28-26+/t41-/m1/s1 > RYYYESISLNMOCC-RGDNSYDZSA-N > C43H70NO8P > 760.006 > 759.483905216 > 5 > 123 > 88.79059198210922 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-3-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]-2-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyloxy]propoxy]phosphinic acid > 7.77 > 10.222954095803422 > -6.88 > 0 > 0 > 0 > 1.868800313658197 > 9.999929336362278 > 134.38000000000002 > 227.54270000000008 > 37 > 0 > 9.97e-05 g/l > 2-aminoethoxy((2R)-3-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]-2-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyloxy]propoxy)phosphinic acid > 0 > PE(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) $$$$