Mrv1652302132020372D 57 56 0 0 1 0 999 V2000 7.9343 -3.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7874 -2.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9511 -3.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0805 -3.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6520 -2.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3633 -3.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0810 -2.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7922 -3.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5098 -2.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2207 -3.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9384 -2.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6497 -3.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3673 -2.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0785 -3.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7962 -2.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5074 -3.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2251 -2.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9363 -3.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6580 -2.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9404 -3.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0829 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3652 -3.4069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6539 -2.9888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3585 -4.2314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3693 -3.0334 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 18.6604 -2.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1046 -2.2931 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 21.9183 -3.7284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2291 -2.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7938 -3.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5115 -3.0108 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.2111 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9256 -4.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6401 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3546 -4.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0690 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -4.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2124 -4.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9269 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6414 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3559 -4.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0704 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7848 -4.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4993 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2138 -4.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9282 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6427 -4.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3572 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0717 -4.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7862 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5006 -4.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2151 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9296 -4.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6441 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6441 -5.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2151 -5.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 6 0 0 0 23 26 1 1 0 0 0 27 31 1 0 0 0 0 28 31 2 0 0 0 0 29 31 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 24 1 0 0 0 0 55 56 2 0 0 0 0 57 53 1 0 0 0 0 M CHG 2 25 1 27 -1 M END > FDB029469 > foodb > CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCCCCCCCC\C=C/CCCCCCCC > InChI=1S/C47H93N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-44(50)42-47(52)48-45(43-56-57(53,54)55-41-40-49(3,4)5)46(51)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h20-21,37,39,44-46,50-51H,6-19,22-36,38,40-43H2,1-5H3,(H-,48,52,53,54)/b21-20-,39-37+/t44?,45-,46+/m0/s1 > IOOMOQUTKQGEFH-BSZNTFKYSA-N > C47H93N2O7P > 829.2243 > 828.672039852 > 5 > 150 > 104.12678554785421 > 0 > 3 > 0 > 0 > (2-{[(2S,3R,4E)-3-hydroxy-2-[(15Z)-3-hydroxytetracos-15-enamido]octadec-4-en-1-yl phosphono]oxy}ethyl)trimethylazanium > 5.81 > 8.939874337194926 > -7.46 > 0 > 0 > 0 > 13.378280047417995 > 1.8647888899780698 > -1.5374968164152811 > 128.14999999999998 > 253.38200000000003 > 43 > 0 > 3.06e-05 g/l > (2-{[(2S,3R,4E)-3-hydroxy-2-[(15Z)-3-hydroxytetracos-15-enamido]octadec-4-en-1-yl phosphono]oxy}ethyl)trimethylazanium > 0 > FDB029469 > SM(d18:0/24:1(15Z)(OH)) $$$$