Mrv1572004261609502D 71 70 0 0 1 0 999 V2000 7.9768 0.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7442 -1.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8252 7.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3506 6.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9024 7.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7394 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6353 -0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8484 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8726 -0.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6111 1.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7636 0.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7200 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0010 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0663 3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8920 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1753 3.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1293 1.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5215 4.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0204 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7588 4.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2577 2.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1051 4.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3424 4.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6039 2.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2335 3.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8412 2.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 3.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3618 2.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4248 2.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5991 1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7711 1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9454 2.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0084 2.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8994 3.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 2.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1367 3.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7663 2.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2734 5.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4556 5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 2.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1949 3.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3039 3.0241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4830 2.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 2.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5879 6.7175 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5920 2.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2215 3.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4945 4.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7857 5.7919 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7203 3.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1411 5.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 4.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3498 2.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6767 4.9742 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.1947 1.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2648 1.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3036 2.7096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5457 1.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9380 4.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4756 1.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6499 3.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1487 3.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2141 5.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7129 1.5144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8872 2.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 3.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4902 1.1369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 3.2757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9576 3.5273 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 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 22 1 0 0 0 0 24 21 2 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 2 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 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 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 15 1 0 0 0 0 61 16 1 0 0 0 0 62 17 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 24 1 0 0 0 0 67 25 1 0 0 0 0 68 27 1 0 0 0 0 69 31 1 0 0 0 0 70 33 1 0 0 0 0 44 71 1 1 0 0 0 M CHG 2 47 1 51 -1 M END > CHEM037469 > 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)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-25,27,31,33,44H,6-7,9,11-13,18-19,23,26,28-30,32,34-43H2,1-5H3/b10-8+,16-14+,17-15+,22-20+,24-21+,27-25+,33-31+/t44-/m1/s1 > HRBNRYBXXRPMKP-IONZZXFGSA-N > C46H78NO8P > 804.103 > 803.546505474 > 4 > 134 > 94.85780722678865 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 5.52 > 8.247756772528257 > -7.44 > 0 > 0 > 0 > 1.8550572064467006 > -6.744217246680202 > 111.19000000000001 > 251.28730000000007 > 39 > 0 > 3.14e-05 g/l > (2-{[(2R)-2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) $$$$