LMFA07050380 LIPID_MAPS_STRUCTURE_DATABASE 64 67 0 0 0 999 V2000 24.6844 -5.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9178 -5.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9124 -6.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4455 -5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2121 -5.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8554 -6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3739 -6.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8554 -7.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0166 -7.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0166 -6.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0086 -8.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1060 -7.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4259 -7.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6048 -7.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8655 -7.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2090 -7.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5629 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7548 -0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2542 -1.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9466 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2553 -1.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8415 -2.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3945 -5.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2940 -6.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5293 -6.0071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6642 -5.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7991 -6.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5637 -4.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6642 -4.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5637 -3.0101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8334 -3.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6985 -2.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4289 -1.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0642 -0.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5637 -1.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0632 -0.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6985 -1.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8333 -1.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2940 -1.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 -1.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2899 -1.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2930 -0.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2930 -2.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2909 -0.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2909 -2.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2930 -1.0120 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.2909 -1.0120 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 26.9965 -0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6680 -2.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6689 -3.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6671 -3.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6680 -3.3716 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.6680 -4.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5131 -0.3056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.2556 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9195 0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1207 -0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2556 -1.9731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.9129 0.5027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.9858 -0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1207 -2.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9858 -1.9730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.8510 -0.4745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1592 -5.5076 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 1 4 2 0 0 0 0 4 5 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 6 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 10 5 1 1 0 0 0 17 54 1 1 0 0 0 18 17 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 19 22 1 6 0 0 0 20 48 1 1 0 0 0 21 20 1 0 0 0 0 21 49 1 6 0 0 0 29 26 1 0 0 0 0 26 25 1 0 0 0 0 25 23 1 0 0 0 0 23 24 1 0 0 0 0 24 64 1 0 0 0 0 26 27 2 0 0 0 0 28 30 1 0 0 0 0 32 30 1 0 0 0 0 29 28 1 0 0 0 0 32 31 2 0 0 0 0 32 37 1 0 0 0 0 37 35 1 0 0 0 0 35 33 1 0 0 0 0 33 39 1 0 0 0 0 35 34 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 6 0 0 0 39 46 1 0 0 0 0 46 40 1 0 0 0 0 40 47 1 0 0 0 0 47 41 1 0 0 0 0 46 42 2 0 0 0 0 46 43 1 0 0 0 0 47 44 2 0 0 0 0 47 45 1 0 0 0 0 48 41 1 0 0 0 0 49 52 1 0 0 0 0 52 50 1 0 0 0 0 52 51 1 0 0 0 0 52 53 2 0 0 0 0 55 54 1 0 0 0 0 56 54 1 0 0 0 0 57 55 2 0 0 0 0 58 55 1 0 0 0 0 59 56 2 0 0 0 0 60 57 1 0 0 0 0 59 57 1 0 0 0 0 61 58 2 0 0 0 0 62 60 2 0 0 0 0 63 60 1 0 0 0 0 62 61 1 0 0 0 0 64 2 1 0 0 0 0 M END > LMFA07050380 > trans-2-Enoyl-OPC4-CoA > > C35H54N7O18P3S > 985.25 > 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)-4-[(2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]but-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid > C16336 > HMDB0011120 > - > - > - > - > - > - > - > 53480662 > - > - > Active > - > https://www.lipidmaps.org/data/LMSDRecord.php?LMID=LMFA07050380 $$$$