Mrv1572004261612552D 72 71 0 0 1 0 999 V2000 13.7368 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4131 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0223 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6987 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3078 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9842 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5934 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2697 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8789 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5552 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1644 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8408 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4499 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1263 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7355 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4118 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7355 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6974 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0210 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0210 -4.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3065 -5.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5921 -4.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6974 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8776 -5.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9829 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1631 -4.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2684 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1631 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8395 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4105 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6961 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9388 -5.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1138 -5.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5526 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1618 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1618 -2.8579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9816 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3513 -6.3493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9816 -1.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 -3.6829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 -4.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 -5.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2671 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 -4.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 -4.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 -4.9204 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.1644 -3.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8408 -0.3829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4499 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1263 -2.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4499 -4.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9829 -1.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3065 -3.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3065 -6.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5921 -4.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4118 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -5.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2684 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8776 -3.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 -3.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1631 -2.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5526 -3.2704 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 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 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 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 2 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 2 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 6 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 11 1 0 0 0 0 57 12 1 0 0 0 0 58 13 1 0 0 0 0 59 14 1 0 0 0 0 60 17 1 0 0 0 0 61 18 1 0 0 0 0 62 19 1 0 0 0 0 63 21 1 0 0 0 0 64 22 1 0 0 0 0 65 23 1 0 0 0 0 66 26 1 0 0 0 0 67 27 1 0 0 0 0 68 28 1 0 0 0 0 69 29 1 0 0 0 0 70 32 1 0 0 0 0 71 34 1 0 0 0 0 43 72 1 6 0 0 0 M END > CHEM038462 > chemdb > [H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC(=O)OC[C@]([H])(COP(O)(=O)OCCN)OC(=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])CCCCC > InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,32,34,43H,3-10,15-16,20,24-25,30-31,33,35-42,46H2,1-2H3,(H,49,50)/b13-11+,14-12+,19-17+,22-21+,23-18+,28-26+,29-27+,34-32-/t43-/m1/s1 > AWVIJOHKRCAEOZ-UJLVPJSESA-N > C45H74NO8P > 788.06 > 787.515205345 > 5 > 129 > 92.18480086674543 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-2-[(4Z,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(6E,9E,12E)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid > 8.32 > 11.112091425803426 > -7.02 > 0 > 0 > 0 > 1.8688003136083795 > 9.999929336362278 > 134.38000000000002 > 236.74470000000008 > 39 > 0 > 7.47e-05 g/l > 2-aminoethoxy((2R)-2-[(4Z,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(6E,9E,12E)-octadeca-6,9,12-trienoyloxy]propoxy)phosphinic acid > 0 > PE(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) $$$$