LMFA07050387 LIPID_MAPS_STRUCTURE_DATABASE 55 57 0 0 0 999 V2000 -0.0747 -8.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0747 -9.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7941 -8.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6634 -8.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5326 -8.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4018 -8.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 -8.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4626 -3.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6545 -2.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1539 -4.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8463 -3.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1551 -4.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7410 -4.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7049 -8.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8055 -8.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 -8.5317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4349 -8.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 -8.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5356 -6.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4349 -7.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5356 -5.5351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2656 -5.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4007 -5.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6705 -4.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 -2.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5356 -3.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0361 -2.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4007 -4.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2658 -3.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8055 -3.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1922 -3.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -3.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8066 -2.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8066 -4.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1911 -2.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1911 -4.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8066 -3.5372 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1911 -3.5372 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.8963 -2.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5678 -4.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 -5.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -5.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5678 -5.8966 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.5678 -6.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -2.8309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1550 -3.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -1.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0199 -2.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1550 -4.4982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8123 -2.0228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8850 -3.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0200 -4.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8850 -4.4980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 -2.9997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9404 -8.0323 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 45 1 1 0 0 9 8 1 0 0 0 10 8 1 0 0 0 11 9 1 0 0 0 12 10 1 0 0 0 10 13 1 6 0 0 11 39 1 1 0 0 12 11 1 0 0 0 12 40 1 6 0 0 16 14 1 0 0 0 14 15 1 0 0 0 15 55 1 0 0 0 17 16 1 0 0 0 20 17 1 0 0 0 17 18 2 0 0 0 19 21 1 0 0 0 20 19 1 0 0 0 23 21 1 0 0 0 23 22 2 0 0 0 23 28 1 0 0 0 26 24 1 0 0 0 24 30 1 0 0 0 26 25 1 0 0 0 28 26 1 0 0 0 26 27 1 0 0 0 28 29 1 6 0 0 30 37 1 0 0 0 37 31 1 0 0 0 31 38 1 0 0 0 38 32 1 0 0 0 39 32 1 0 0 0 37 33 2 0 0 0 37 34 1 0 0 0 38 35 2 0 0 0 38 36 1 0 0 0 40 43 1 0 0 0 43 41 1 0 0 0 43 42 1 0 0 0 43 44 2 0 0 0 46 45 1 0 0 0 47 45 1 0 0 0 48 46 2 0 0 0 49 46 1 0 0 0 50 47 2 0 0 0 51 48 1 0 0 0 50 48 1 0 0 0 52 49 2 0 0 0 53 51 2 0 0 0 54 51 1 0 0 0 53 52 1 0 0 0 55 1 1 0 0 0 0 M END > LMFA07050387 > trans-3-Hexenoyl-CoA > {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(3E)-hex-3-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid > C27H44N7O17P3S > 863.17 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > - > HMDB0006522 > - > 85442 > - > - > - > - > - > 90659882 > - > - > Active > - > https://lipidmaps.org/databases/lmsd/LMFA07050387 $$$$