Mrv1572004261610082D 73 72 0 0 1 0 999 V2000 5.6421 -3.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0780 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5739 -5.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8212 -4.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7376 -5.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4862 -3.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4543 -0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1099 -2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6103 0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9539 -1.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9866 1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5776 -1.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1425 1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4217 -0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5189 2.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0453 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7393 2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8894 0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1157 2.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1099 1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3361 2.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9539 1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1744 2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1802 1.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5507 1.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4007 1.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7712 1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2448 0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1476 1.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8684 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3035 0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6798 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3361 -1.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8357 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1802 -2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2121 -1.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4007 -2.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4325 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6574 -3.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8473 -4.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3738 -1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4384 -2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5943 -1.7946 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7770 -1.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8089 -1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1975 -4.6204 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9329 -0.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9648 -2.3347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3131 -3.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -4.4951 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9975 -2.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3072 -3.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3412 -2.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0293 -1.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 -3.6850 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -8.3898 0.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2071 0.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6421 -0.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6748 3.3362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8249 -0.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5834 1.4459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4862 0.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 3.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5776 2.5261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8039 1.1758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7067 0.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6153 2.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4652 0.3657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 0.3657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 0.3657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9003 0.3657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2179 -2.3347 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 2 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 2 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 6 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 9 1 0 0 0 0 58 11 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 28 1 0 0 0 0 70 30 1 0 0 0 0 71 31 1 0 0 0 0 72 33 1 0 0 0 0 44 73 1 6 0 0 0 M CHG 2 47 1 51 -1 M END > CHEM037566 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C46H76NO8P/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/h9,11,14-17,20-22,24-25,27-28,30-31,33,44H,6-8,10,12-13,18-19,23,26,29,32,34-43H2,1-5H3/b11-9+,16-14+,17-15+,22-20+,24-21+,27-25+,30-28+,33-31+/t44-/m1/s1 > YRFDBIBHTTWAQU-OCKJHRELSA-N > C46H76NO8P > 802.087 > 801.530855409 > 4 > 132 > 94.21138931095518 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]-3-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 5.33 > 7.885835115861585 > -7.38 > 0 > 0 > 0 > 1.8550572064466984 > -6.744218203270195 > 111.19000000000001 > 252.40390000000008 > 38 > 0 > 3.59e-05 g/l > (2-{[(2R)-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]-3-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) $$$$