LMFA07050381 LIPID_MAPS_STRUCTURE_DATABASE 66 69 0 0 0 999 V2000 18.9501 -5.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1805 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1750 -6.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0178 -5.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2481 -5.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4839 -5.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7143 -5.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6677 -5.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1884 -6.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6677 -7.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8255 -6.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8255 -5.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8216 -7.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9113 -7.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2285 -6.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 -6.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6618 -7.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0026 -6.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8379 -0.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0297 0.4178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5292 -1.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2216 -0.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5303 -1.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1165 -1.9277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6695 -5.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5690 -5.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8043 -5.5621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9392 -5.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0741 -5.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8387 -3.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9392 -4.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8387 -2.5651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1084 -2.5651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9735 -2.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7039 -1.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3392 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8387 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3382 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9735 -1.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1083 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5690 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5670 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5648 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5680 0.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5680 -1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5659 0.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5659 -1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5680 -0.5670 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.5659 -0.5670 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.2715 0.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9430 -1.9277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9439 -2.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9421 -2.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9430 -2.9267 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.9430 -3.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7881 0.1393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.5306 -0.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1945 1.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3957 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5306 -1.5281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.1879 0.9476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.2608 -0.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3957 -2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2608 -1.5280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.1260 -0.0295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4342 -5.0626 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 2 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 1 7 2 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 8 1 0 0 0 0 10 13 2 0 0 0 0 11 14 1 1 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 12 4 1 1 0 0 0 19 56 1 1 0 0 0 20 19 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 21 24 1 6 0 0 0 22 50 1 1 0 0 0 23 22 1 0 0 0 0 23 51 1 6 0 0 0 31 28 1 0 0 0 0 28 27 1 0 0 0 0 27 25 1 0 0 0 0 25 26 1 0 0 0 0 26 66 1 0 0 0 0 28 29 2 0 0 0 0 30 32 1 0 0 0 0 34 32 1 0 0 0 0 31 30 1 0 0 0 0 34 33 2 0 0 0 0 34 39 1 0 0 0 0 39 37 1 0 0 0 0 37 35 1 0 0 0 0 35 41 1 0 0 0 0 37 36 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 6 0 0 0 41 48 1 0 0 0 0 48 42 1 0 0 0 0 42 49 1 0 0 0 0 49 43 1 0 0 0 0 48 44 2 0 0 0 0 48 45 1 0 0 0 0 49 46 2 0 0 0 0 49 47 1 0 0 0 0 50 43 1 0 0 0 0 51 54 1 0 0 0 0 54 52 1 0 0 0 0 54 53 1 0 0 0 0 54 55 2 0 0 0 0 57 56 1 0 0 0 0 58 56 1 0 0 0 0 59 57 2 0 0 0 0 60 57 1 0 0 0 0 61 58 2 0 0 0 0 62 59 1 0 0 0 0 61 59 1 0 0 0 0 63 60 2 0 0 0 0 64 62 2 0 0 0 0 65 62 1 0 0 0 0 64 63 1 0 0 0 0 66 2 1 0 0 0 0 M END > LMFA07050381 > trans-2-Enoyl-OPC6-CoA > > C37H58N7O18P3S > 1013.28 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > {[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-{[(2E)-6-[(2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]hex-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid > C16332 > HMDB0011121 > - > - > - > - > - > - > - > 53480663 > - > - > Active > - > https://www.lipidmaps.org/databases/lmsd/LMFA07050381 $$$$