LMFA07050365 LIPID_MAPS_STRUCTURE_DATABASE 60 64 0 0 0 999 V2000 15.4355 -1.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5262 -4.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2389 -2.5611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7845 -3.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6895 -3.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1740 -2.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8290 -5.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7338 -5.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0472 -1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1756 -1.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0285 -2.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4321 -3.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9879 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1797 2.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6791 0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3715 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6803 0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2664 0.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8194 -2.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7189 -3.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9543 -3.4821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0892 -2.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2241 -3.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9886 -1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0892 -1.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9886 -0.4851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2584 -0.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1235 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8539 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4892 2.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9886 1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4882 2.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1235 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2583 1.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7189 1.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7170 1.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7148 1.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7180 2.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7180 0.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7158 2.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7158 0.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7180 1.5131 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.7158 1.5131 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.4215 2.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0930 0.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0938 -0.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0921 -0.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0930 -0.8466 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.0930 -1.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9381 2.2194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6806 1.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3445 3.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5457 2.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6806 0.5519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3379 3.0277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4108 1.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5457 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4108 0.5520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.2760 2.0506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5842 -2.9825 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 1 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 6 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 13 50 1 1 0 0 0 14 13 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 15 18 1 6 0 0 0 16 44 1 1 0 0 0 17 16 1 0 0 0 0 17 45 1 6 0 0 0 25 22 1 0 0 0 0 22 21 1 0 0 0 0 21 19 1 0 0 0 0 19 20 1 0 0 0 0 20 60 1 0 0 0 0 22 23 2 0 0 0 0 24 26 1 0 0 0 0 28 26 1 0 0 0 0 25 24 1 0 0 0 0 28 27 2 0 0 0 0 28 33 1 0 0 0 0 33 31 1 0 0 0 0 31 29 1 0 0 0 0 29 35 1 0 0 0 0 31 30 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 6 0 0 0 35 42 1 0 0 0 0 42 36 1 0 0 0 0 36 43 1 0 0 0 0 43 37 1 0 0 0 0 42 38 2 0 0 0 0 42 39 1 0 0 0 0 43 40 2 0 0 0 0 43 41 1 0 0 0 0 44 37 1 0 0 0 0 45 48 1 0 0 0 0 48 46 1 0 0 0 0 48 47 1 0 0 0 0 48 49 2 0 0 0 0 51 50 1 0 0 0 0 52 50 1 0 0 0 0 53 51 2 0 0 0 0 54 51 1 0 0 0 0 55 52 2 0 0 0 0 56 53 1 0 0 0 0 55 53 1 0 0 0 0 57 54 2 0 0 0 0 58 56 2 0 0 0 0 59 56 1 0 0 0 0 58 57 1 0 0 0 0 60 12 1 0 0 0 0 M END > LMFA07050365 > Pseudoecgonyl-CoA > {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(2S,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]carbonylsulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid > C30H49N8O18P3S > 934.21 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > C12450 > HMDB0006403 > - > 32073 > - > - > - > - > - > 443846 > - > - > Active > - > https://www.lipidmaps.org/data/LMSDRecord.php?LMID=LMFA07050365 $$$$