Mrv1572004261611322D 75 74 0 0 1 0 999 V2000 12.1836 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.7637 10.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5703 12.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1414 11.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4434 12.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8980 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.0492 10.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6125 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3348 10.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3270 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.6203 10.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0414 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.9058 10.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7559 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.1913 10.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4704 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.4769 10.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1849 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.7624 10.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8993 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0479 10.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6138 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3335 10.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3283 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3335 9.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0427 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7572 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6190 9.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4717 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.9045 9.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1862 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1900 9.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9006 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4756 9.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6151 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7611 9.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3296 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7611 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0440 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0466 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7585 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3322 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4730 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6177 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1874 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9032 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9019 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2684 11.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0934 11.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7598 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0453 9.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0453 8.2717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 32.1887 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6164 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8559 11.7631 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 32.1887 7.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6164 9.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1559 10.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3309 11.1592 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 31.4743 8.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5059 10.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3309 9.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3309 7.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3309 10.3342 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 42.1913 9.5092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.4769 11.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.0479 11.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.6190 10.7467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.6190 8.2717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.9045 10.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.4756 10.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.0466 9.5092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.0466 7.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.3322 9.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.7598 8.6842 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 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 1 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 1 0 0 0 0 23 21 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 26 1 0 0 0 0 28 25 1 0 0 0 0 29 27 1 0 0 0 0 30 28 2 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 2 0 0 0 0 37 35 1 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 42 40 2 0 0 0 0 43 41 1 0 0 0 0 44 42 1 0 0 0 0 45 43 1 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 49 48 1 0 0 0 0 52 50 1 0 0 0 0 52 51 1 0 0 0 0 53 46 1 0 0 0 0 54 47 1 0 0 0 0 55 3 1 0 0 0 0 55 4 1 0 0 0 0 55 5 1 0 0 0 0 55 48 1 0 0 0 0 56 53 2 0 0 0 0 57 54 2 0 0 0 0 60 50 1 0 0 0 0 60 53 1 0 0 0 0 61 49 1 0 0 0 0 62 51 1 0 0 0 0 52 63 1 6 0 0 0 63 54 1 0 0 0 0 64 58 2 0 0 0 0 64 59 1 0 0 0 0 64 61 1 0 0 0 0 64 62 1 0 0 0 0 65 15 1 0 0 0 0 66 17 1 0 0 0 0 67 21 1 0 0 0 0 68 23 1 0 0 0 0 69 28 1 0 0 0 0 70 30 1 0 0 0 0 71 34 1 0 0 0 0 72 36 1 0 0 0 0 73 40 1 0 0 0 0 74 42 1 0 0 0 0 52 75 1 6 0 0 0 M CHG 2 55 1 59 -1 M END > CHEM038003 > chemdb > [H]\C(CCCCC)=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)CCCCCCCCCCCCCCCCCCCCCCC > InChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,30,34,36,40,42,52H,6-14,16,18-20,22,24-27,29,31-33,35,37-39,41,43-51H2,1-5H3/b17-15+,23-21-,30-28+,36-34-,42-40+/t52-/m1/s1 > ZHBLKKDORTYJBR-AVTHSSOVSA-N > C54H98NO8P > 920.351 > 919.703006118 > 4 > 162 > 115.42817048249196 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(4E,7Z,10E,13Z,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-(tetracosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium > 7.18 > 12.528149405861587 > -7.53 > 0 > 0 > 0 > 1.8550572064425017 > -6.745888111558158 > 111.19000000000001 > 285.8620999999999 > 49 > 0 > 2.86e-05 g/l > (2-{[(2R)-3-[(4E,7Z,10E,13Z,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-(tetracosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(22:5(4Z,7Z,10Z,13Z,16Z)/24:0) $$$$