Mrv1572004261610072D 69 68 0 0 1 0 999 V2000 -2.0033 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5730 2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9533 9.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 8.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 9.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2888 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8585 2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8585 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1440 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8546 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1440 0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5691 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4296 -0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7151 0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0006 -0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2862 0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2862 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5717 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5717 2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2862 2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2862 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1414 5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0006 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0006 4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5704 5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2862 5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 7.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 7.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1427 4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4283 6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4283 5.2224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5717 4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 8.7138 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.5717 3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 6.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 7.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 8.1099 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.8572 5.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 7.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 6.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 4.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 7.2849 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.5730 1.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4296 1.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5691 2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4296 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 0.2724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7151 1.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 2.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5717 -0.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0006 1.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8572 2.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0006 2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1427 5.6349 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 1 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 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 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 28 1 0 0 0 0 68 30 1 0 0 0 0 44 69 1 6 0 0 0 M CHG 2 47 1 51 -1 M END > CHEM037563 > 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)CCCCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C46H80NO8P/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/h9,11,14-17,20-22,24,28,30,44H,6-8,10,12-13,18-19,23,25-27,29,31-43H2,1-5H3/b11-9+,16-14+,17-15+,22-20+,24-21+,30-28+/t44-/m1/s1 > RJBUKRKXNJFIDS-NIQBCEBUSA-N > C46H80NO8P > 806.119 > 805.562155538 > 4 > 136 > 96.59046589266457 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(11E,14E)-icosa-11,14-dienoyloxy]-3-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 5.71 > 8.609678429194922 > -7.45 > 0 > 0 > 0 > 1.8550572064469115 > -6.744160265632107 > 111.19000000000001 > 250.17070000000007 > 40 > 0 > 3.08e-05 g/l > (2-{[(2R)-2-[(11E,14E)-icosa-11,14-dienoyloxy]-3-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) $$$$