Mrv1572004261610562D 69 68 0 0 1 0 999 V2000 22.2078 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 -6.1579 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 22.9223 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 -5.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9223 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 -4.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6368 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6368 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9171 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9223 -1.2079 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 5.0605 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7789 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0644 -0.3829 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 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3499 -1.6204 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 22.2078 -2.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3512 -2.8579 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 23.6368 0.0296 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 4.3461 -3.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4934 -1.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7789 0.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7789 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6355 -1.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6355 -3.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9210 -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 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 2 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 21 1 0 0 0 0 25 23 1 0 0 0 0 26 25 2 0 0 0 0 27 24 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 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 41 40 1 0 0 0 0 44 42 1 0 0 0 0 44 43 1 0 0 0 0 45 38 1 0 0 0 0 46 39 1 0 0 0 0 47 3 1 0 0 0 0 47 4 1 0 0 0 0 47 5 1 0 0 0 0 47 40 1 0 0 0 0 48 45 2 0 0 0 0 49 46 2 0 0 0 0 52 42 1 0 0 0 0 52 45 1 0 0 0 0 53 41 1 0 0 0 0 54 43 1 0 0 0 0 44 55 1 1 0 0 0 55 46 1 0 0 0 0 56 50 2 0 0 0 0 56 51 1 0 0 0 0 56 53 1 0 0 0 0 56 54 1 0 0 0 0 57 8 1 0 0 0 0 58 10 1 0 0 0 0 59 14 1 0 0 0 0 60 16 1 0 0 0 0 61 17 1 0 0 0 0 62 19 1 0 0 0 0 63 20 1 0 0 0 0 64 22 1 0 0 0 0 65 25 1 0 0 0 0 66 26 1 0 0 0 0 67 30 1 0 0 0 0 68 32 1 0 0 0 0 44 69 1 1 0 0 0 M CHG 2 47 1 51 -1 M END > CHEM037818 > 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])CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C([H])=C(/[H])CCCCCC > InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,25-26,30,32,44H,6-7,9,11-13,15,18,21,23-24,27-29,31,33-43H2,1-5H3/b10-8+,16-14+,19-17+,22-20+,26-25+,32-30+/t44-/m1/s1 > KAAXHFGQTWYDKM-GIVSTKDFSA-N > C46H80NO8P > 806.119 > 805.562155538 > 4 > 136 > 96.66378516346045 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(11E)-octadec-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 5.74 > 8.609678429194922 > -7.44 > 0 > 0 > 0 > 1.8550572064467632 > -6.744219009617095 > 111.19000000000001 > 250.17070000000007 > 40 > 0 > 3.09e-05 g/l > (2-{[(2R)-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(11E)-octadec-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z)) $$$$