Mrv1572004261611512D 75 74 0 0 1 0 999 V2000 -16.6914 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8887 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3598 -13.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7887 -12.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4868 -13.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9770 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1742 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2625 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4598 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5480 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7453 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8336 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0308 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1191 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3163 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4046 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6019 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6901 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8874 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9757 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1729 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2612 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1729 -8.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5467 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4585 -7.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8323 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1178 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7440 -8.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4033 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6888 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0295 -7.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9744 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3150 -8.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2599 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6006 -7.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5454 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8861 -8.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8861 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1165 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1716 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6876 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7427 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9731 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0282 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6618 -12.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 -12.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1703 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8848 -10.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8848 -9.2881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2586 -8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3137 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0743 -12.7796 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2586 -8.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3137 -10.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 -11.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5993 -12.1756 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4559 -9.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4243 -11.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5993 -10.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5993 -8.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5993 -11.3506 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.3163 -10.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6019 -8.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4585 -9.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8874 -7.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7440 -8.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0295 -6.8131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6006 -6.8131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1716 -7.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1716 -10.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 -8.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1703 -9.7006 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 29 1 0 0 0 0 31 28 2 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 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 42 40 1 0 0 0 0 43 41 2 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 31 1 0 0 0 0 71 35 1 0 0 0 0 72 37 1 0 0 0 0 73 41 1 0 0 0 0 74 43 1 0 0 0 0 52 75 1 6 0 0 0 M CHG 2 55 1 59 -1 M END > CHEM038099 > 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)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,31,35,37,41,43,52H,6-14,16,18-20,22,24-27,29-30,32-34,36,38-40,42,44-51H2,1-5H3/b17-15+,23-21+,31-28+,37-35-,43-41+/t52-/m1/s1 > ZRLWSEIJYVBRND-AEWGMUPLSA-N > C54H98NO8P > 920.351 > 919.703006118 > 4 > 162 > 115.53934217341623 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(4E,7Z,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-3-(tetracosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium > 7.18 > 12.528149405861587 > -7.53 > 0 > 0 > 0 > 1.8550572063969666 > -6.745836960692002 > 111.19000000000001 > 285.8620999999999 > 49 > 0 > 2.86e-05 g/l > (2-{[(2R)-2-[(4E,7Z,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-3-(tetracosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(24:0/22:5(4Z,7Z,10Z,13Z,16Z)) $$$$