Mrv1572004261610092D 77 76 0 0 1 0 999 V2000 7.2565 -3.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8668 -0.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -5.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0323 -4.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9488 -5.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1005 -3.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2432 -0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7242 -2.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3991 0.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5683 -1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7755 1.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1919 -1.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9314 1.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0360 -0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3077 2.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6596 0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5282 2.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5037 1.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9046 2.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7242 1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 2.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5683 2.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7887 2.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1651 1.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3855 2.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9691 1.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7619 1.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1895 1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9178 0.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0336 0.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2942 0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6573 -0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4501 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5014 -0.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8264 -1.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0469 -0.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9691 -2.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4232 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1895 -2.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 -1.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -4.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0584 -4.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1627 -1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2272 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3832 -1.9690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5659 -1.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4087 -4.7948 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7218 -1.1589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -2.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1019 -4.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8641 -4.6695 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7863 -2.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 -3.7034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5523 -3.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2405 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7082 -3.8593 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -8.1787 0.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9959 0.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2565 -0.0787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4637 3.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4392 -0.0787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3723 1.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1005 0.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5014 2.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1919 2.6217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 1.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2296 2.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5927 1.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 0.4614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2541 0.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 0.4614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4368 0.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 -1.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -0.0787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0068 -2.5091 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 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 2 0 0 0 0 26 21 2 0 0 0 0 27 25 1 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 2 0 0 0 0 32 30 2 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 37 35 2 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 43 42 1 0 0 0 0 46 44 1 0 0 0 0 46 45 1 0 0 0 0 47 40 1 0 0 0 0 48 41 1 0 0 0 0 49 3 1 0 0 0 0 49 4 1 0 0 0 0 49 5 1 0 0 0 0 49 42 1 0 0 0 0 50 47 2 0 0 0 0 51 48 2 0 0 0 0 54 44 1 0 0 0 0 54 47 1 0 0 0 0 55 43 1 0 0 0 0 56 45 1 0 0 0 0 46 57 1 6 0 0 0 57 48 1 0 0 0 0 58 52 2 0 0 0 0 58 53 1 0 0 0 0 58 55 1 0 0 0 0 58 56 1 0 0 0 0 59 9 1 0 0 0 0 60 11 1 0 0 0 0 61 14 1 0 0 0 0 62 15 1 0 0 0 0 63 16 1 0 0 0 0 64 17 1 0 0 0 0 65 20 1 0 0 0 0 66 21 1 0 0 0 0 67 22 1 0 0 0 0 68 24 1 0 0 0 0 69 25 1 0 0 0 0 70 26 1 0 0 0 0 71 29 1 0 0 0 0 72 30 1 0 0 0 0 73 31 1 0 0 0 0 74 32 1 0 0 0 0 75 35 1 0 0 0 0 76 37 1 0 0 0 0 46 77 1 6 0 0 0 M CHG 2 49 1 53 -1 M END > CHEM037573 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)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/C48H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,29-32,35,37,46H,6-8,10,12-13,18-19,23,27-28,33-34,36,38-45H2,1-5H3/b11-9+,16-14+,17-15+,22-20+,25-24+,26-21+,31-29+,32-30+,37-35+/t46-/m1/s1 > LVYIJZGZVCNMPL-MZKMBESTSA-N > C48H78NO8P > 828.125 > 827.546505474 > 4 > 136 > 97.56176763649646 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 5.47 > 8.413050789194921 > -7.38 > 0 > 0 > 0 > 1.855057206396964 > -6.745837920856323 > 111.19000000000001 > 262.7225000000001 > 39 > 0 > 3.70e-05 g/l > (2-{[(2R)-2-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) $$$$