Mrv1572004261611432D 75 74 0 0 1 0 999 V2000 24.0493 -6.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1862 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0927 -7.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5217 -7.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2197 -8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7637 -6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7637 -5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4782 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4782 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7637 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3296 -2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7637 -2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3296 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0493 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0441 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3348 -2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7586 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6203 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9059 -2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9059 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1914 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1914 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4769 -5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6164 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7624 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0480 -5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3335 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3335 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4743 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6190 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1888 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9046 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9033 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3947 -6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5697 -6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7612 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 -3.9849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1901 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6177 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8072 -7.4763 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 16.1901 -2.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6177 -4.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5072 -6.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3322 -6.8724 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.4756 -3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1572 -6.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3322 -5.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3322 -3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3322 -6.0474 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.0493 -4.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1927 -5.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0493 -3.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4782 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3348 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7586 -2.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6203 -1.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -4.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6203 -3.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4769 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4769 -6.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7624 -3.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6190 -5.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0480 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7612 -4.3974 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 2 0 0 0 0 11 9 1 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 1 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 21 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 27 1 0 0 0 0 29 26 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 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 1 0 0 0 0 38 36 2 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 42 40 1 0 0 0 0 43 41 1 0 0 0 0 45 44 1 0 0 0 0 48 46 1 0 0 0 0 48 47 1 0 0 0 0 49 42 1 0 0 0 0 50 43 1 0 0 0 0 51 3 1 0 0 0 0 51 4 1 0 0 0 0 51 5 1 0 0 0 0 51 44 1 0 0 0 0 52 49 2 0 0 0 0 53 50 2 0 0 0 0 56 46 1 0 0 0 0 56 49 1 0 0 0 0 57 45 1 0 0 0 0 58 47 1 0 0 0 0 48 59 1 1 0 0 0 59 50 1 0 0 0 0 60 54 2 0 0 0 0 60 55 1 0 0 0 0 60 57 1 0 0 0 0 60 58 1 0 0 0 0 61 8 1 0 0 0 0 62 10 1 0 0 0 0 63 14 1 0 0 0 0 64 16 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 23 1 0 0 0 0 69 25 1 0 0 0 0 70 27 1 0 0 0 0 71 30 1 0 0 0 0 72 32 1 0 0 0 0 73 36 1 0 0 0 0 74 38 1 0 0 0 0 48 75 1 1 0 0 0 M CHG 2 51 1 55 -1 M END > CHEM038055 > chemdb > [H]\C(CC)=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])CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C([H])=C(/[H])CCCCCCCC > InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,30,32,36,38,48H,6-7,9,11-13,15,17-19,24,26,28-29,31,33-35,37,39-47H2,1-5H3/b10-8+,16-14+,22-20+,23-21+,27-25+,32-30+,38-36+/t48-/m1/s1 > NUWJFKUDPOFWDX-VEFMBTSQSA-N > C50H86NO8P > 860.211 > 859.609105731 > 4 > 146 > 104.13000465588216 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(11E)-icos-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 6.25 > 10.026031432528255 > -7.45 > 0 > 0 > 0 > 1.8550572064425017 > -6.745888111558158 > 111.19000000000001 > 269.69129999999996 > 43 > 0 > 3.22e-05 g/l > (2-{[(2R)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(11E)-icos-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) $$$$