Mrv1572004261611222D 71 70 0 0 1 0 999 V2000 26.4947 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0592 1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9658 -6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3947 -5.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0927 -7.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7802 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7737 0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7802 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7737 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0657 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 -0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0657 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3512 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3512 -0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6368 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9171 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9223 -0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6316 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2078 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3461 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4934 -0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4934 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0605 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7789 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7789 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0644 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3499 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2039 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6355 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9184 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9210 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6329 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2065 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3474 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4921 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0618 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7776 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7763 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2677 -5.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4427 -5.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6342 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9197 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9197 -2.8579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0631 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4908 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6802 -6.3493 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.0631 -1.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4908 -3.6829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3802 -4.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2052 -5.7454 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.3487 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0302 -4.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2052 -4.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2052 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2052 -4.9204 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.6368 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0657 0.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9223 -1.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6316 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2078 0.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3461 -3.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2078 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0644 -1.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0644 -3.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3499 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6342 -3.2704 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 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 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 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 14 1 0 0 0 0 62 16 1 0 0 0 0 63 20 1 0 0 0 0 64 21 1 0 0 0 0 65 22 1 0 0 0 0 66 23 1 0 0 0 0 67 25 1 0 0 0 0 68 27 1 0 0 0 0 69 30 1 0 0 0 0 70 32 1 0 0 0 0 48 71 1 1 0 0 0 M CHG 2 51 1 55 -1 M END > CHEM037956 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C50H90NO8P/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/h14,16,20-23,25,27,30,32,48H,6-13,15,17-19,24,26,28-29,31,33-47H2,1-5H3/b16-14+,22-20+,23-21+,27-25+,32-30+/t48-/m1/s1 > OWLGRGMPPSCQNS-MZYDQLBKSA-N > C50H90NO8P > 864.243 > 863.64040586 > 4 > 150 > 106.50666673880039 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoyloxy]-2-[(11E)-icos-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 6.57 > 10.749874745861586 > -7.52 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159316269899 > 111.19000000000001 > 267.45809999999994 > 45 > 0 > 2.77e-05 g/l > (2-{[(2R)-3-[(7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoyloxy]-2-[(11E)-icos-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)) $$$$