Mrv1572004261611572D 71 70 0 0 1 0 999 V2000 -13.8849 -0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4085 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -10.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 -9.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 -10.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8849 -1.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6940 -7.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1704 -1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9795 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1704 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2650 -7.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4559 -2.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5506 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4559 -3.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8361 -7.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7414 -3.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1216 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7414 -4.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4072 -7.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0270 -5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6927 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0270 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6927 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3125 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5980 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8836 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1691 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9782 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4546 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7401 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2637 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0257 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5493 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3112 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8348 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5967 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1203 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8823 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4059 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1678 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6914 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4533 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9769 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7388 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2624 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 -9.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -9.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -6.4302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0244 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3085 -9.9217 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0244 -5.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -7.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0085 -8.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8335 -9.3177 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3099 -6.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6585 -8.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8335 -7.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8335 -6.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8335 -8.4927 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.8361 -8.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1216 -6.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3125 -4.7802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9782 -7.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7414 -6.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4072 -6.0177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2637 -7.2552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5493 -5.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 -6.8427 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 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 25 1 0 0 0 0 27 26 1 0 0 0 0 28 23 1 0 0 0 0 29 27 1 0 0 0 0 30 29 1 0 0 0 0 31 28 1 0 0 0 0 32 30 1 0 0 0 0 33 31 2 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 44 42 1 0 0 0 0 45 43 1 0 0 0 0 47 46 1 0 0 0 0 50 48 1 0 0 0 0 50 49 1 0 0 0 0 51 44 1 0 0 0 0 52 45 1 0 0 0 0 53 3 1 0 0 0 0 53 4 1 0 0 0 0 53 5 1 0 0 0 0 53 46 1 0 0 0 0 54 51 2 0 0 0 0 55 52 2 0 0 0 0 58 48 1 0 0 0 0 58 51 1 0 0 0 0 59 47 1 0 0 0 0 60 49 1 0 0 0 0 50 61 1 6 0 0 0 61 52 1 0 0 0 0 62 56 2 0 0 0 0 62 57 1 0 0 0 0 62 59 1 0 0 0 0 62 60 1 0 0 0 0 63 15 1 0 0 0 0 64 17 1 0 0 0 0 65 20 1 0 0 0 0 66 21 1 0 0 0 0 67 22 1 0 0 0 0 68 23 1 0 0 0 0 69 31 1 0 0 0 0 70 33 1 0 0 0 0 50 71 1 6 0 0 0 M CHG 2 53 1 57 -1 M END > CHEM038124 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,31,33,50H,6-14,16,18-19,24-30,32,34-49H2,1-5H3/b17-15+,22-20+,23-21+,33-31+/t50-/m1/s1 > DCSZKAGXEAVMBQ-VQUBBTLQSA-N > C52H96NO8P > 894.313 > 893.687356053 > 4 > 158 > 112.34270596797043 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]-3-[(15E)-tetracos-15-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 6.82 > 12.000933732528255 > -7.55 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159309192892 > 111.19000000000001 > 275.54349999999994 > 48 > 0 > 2.70e-05 g/l > (2-{[(2R)-2-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]-3-[(15E)-tetracos-15-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(24:1(15Z)/20:3(8Z,11Z,14Z)) $$$$