Mrv1572004261611282D 71 70 0 0 1 0 999 V2000 21.3828 -8.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0513 0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4263 -7.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8552 -6.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5533 -7.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6684 -7.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6632 0.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6684 -6.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6632 -0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9539 -6.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9539 -5.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2394 -5.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0921 -2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2394 -4.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0921 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5249 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8066 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5249 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5211 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2394 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2394 -2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5249 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5249 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8105 -0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0960 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3815 -0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6671 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3789 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6671 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9526 -2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8079 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9526 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5224 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2381 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2368 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7283 -6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9033 -6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0947 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3802 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3802 -3.2704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5237 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1408 -6.7618 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.5237 -2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 -4.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8408 -5.3329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6658 -6.1579 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.8092 -3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4908 -5.3329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6658 -4.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6658 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6658 -5.3329 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.5249 -5.7454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9539 -4.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8105 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5211 -2.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9539 -3.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8105 -2.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2394 -0.3829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 -4.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0960 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3815 0.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3815 -2.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2381 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0947 -3.6829 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 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 2 0 0 0 0 26 21 2 0 0 0 0 27 25 1 0 0 0 0 28 27 1 0 0 0 0 29 26 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 43 42 1 0 0 0 0 46 44 1 0 0 0 0 46 45 1 0 0 0 0 47 40 1 0 0 0 0 48 41 1 0 0 0 0 49 3 1 0 0 0 0 49 4 1 0 0 0 0 49 5 1 0 0 0 0 49 42 1 0 0 0 0 50 47 2 0 0 0 0 51 48 2 0 0 0 0 54 44 1 0 0 0 0 54 47 1 0 0 0 0 55 43 1 0 0 0 0 56 45 1 0 0 0 0 46 57 1 1 0 0 0 57 48 1 0 0 0 0 58 52 2 0 0 0 0 58 53 1 0 0 0 0 58 55 1 0 0 0 0 58 56 1 0 0 0 0 59 14 1 0 0 0 0 60 16 1 0 0 0 0 61 20 1 0 0 0 0 62 21 1 0 0 0 0 63 22 1 0 0 0 0 64 24 1 0 0 0 0 65 25 1 0 0 0 0 66 26 1 0 0 0 0 67 28 1 0 0 0 0 68 30 1 0 0 0 0 69 34 1 0 0 0 0 70 36 1 0 0 0 0 46 71 1 1 0 0 0 M CHG 2 49 1 53 -1 M END > CHEM037983 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C([H])=C(/[H])C\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/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-26,28,30,34,36,46H,6-13,15,17-19,23,27,29,31-33,35,37-45H2,1-5H3/b16-14+,22-20+,25-24+,26-21+,30-28+,36-34+/t46-/m1/s1 > BMDGYQSEWGPUNB-ZXPHWURDSA-N > C48H84NO8P > 834.173 > 833.593455667 > 4 > 142 > 100.22164880311618 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9E)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 6.16 > 9.498815759194922 > -7.48 > 0 > 0 > 0 > 1.8550572064425017 > -6.74588811155819 > 111.19000000000001 > 259.37270000000007 > 42 > 0 > 2.94e-05 g/l > (2-{[(2R)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9E)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)) $$$$