LMFA07050117 LIPID_MAPS_STRUCTURE_DATABASE 59 61 0 0 0 999 V2000 -2.6116 -2.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0604 -2.6363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1052 -2.2422 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1052 -1.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8153 -1.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 -2.6363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1563 -2.6363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -2.2067 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.3997 -2.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3997 -3.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -3.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -0.1557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8712 -0.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -1.7025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5748 0.9815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5748 0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 -0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 -1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5748 -1.8844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7471 -1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7471 -0.4512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2766 -3.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4783 -5.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6966 -4.6064 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.2973 -3.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6078 -3.1047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6966 -3.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1726 -5.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -5.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8695 1.4427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7171 0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0647 2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 2.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3199 1.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8088 2.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6803 2.9848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6803 3.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8088 4.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0647 3.9923 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8088 1.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6624 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7068 -0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5858 -0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6813 -1.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1656 -0.9962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6561 -0.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0109 4.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0109 5.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8395 4.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6737 4.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5075 4.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3415 4.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1753 4.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1684 3.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8712 4.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6832 5.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8997 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0600 -5.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 9 2 1 0 0 0 7 3 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 8 5 2 0 0 0 8 6 1 0 0 0 8 7 1 0 0 0 10 9 1 1 0 0 11 14 1 1 0 0 18 14 1 0 0 0 14 13 1 0 0 0 13 12 2 0 0 0 12 17 1 0 0 0 16 15 1 0 0 0 21 20 1 0 0 0 20 19 2 0 0 0 19 18 1 0 0 0 18 17 2 0 0 0 17 16 1 0 0 0 16 21 2 0 0 0 23 24 1 0 0 0 8 25 1 0 0 0 3 26 1 0 0 0 24 27 2 0 0 0 24 28 1 0 0 0 24 29 1 0 0 0 10 22 1 0 0 0 22 11 1 0 0 0 30 31 1 0 0 0 32 33 1 0 0 0 33 30 1 0 0 0 31 34 2 0 0 0 32 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 35 40 2 0 0 0 1 41 1 0 0 0 41 42 1 0 0 0 41 43 1 1 0 0 41 44 1 6 0 0 42 45 1 1 0 0 42 46 1 6 0 0 42 31 1 0 0 0 47 48 2 0 0 0 47 49 1 0 0 0 47 39 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 2 0 0 0 53 55 1 0 0 0 50 56 1 6 0 0 10 57 1 0 0 0 11 58 1 0 0 0 57 58 1 0 0 0 57 23 1 6 0 0 58 59 1 6 0 0 M END > LMFA07050117 > (3S)-3-Hydroxyadipyl-CoA > (4R)-6-{[2-(3-{3-[({[({[(2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}-4-hydroxy-6-oxohexanoic acid > C27H44N7O20P3S > 911.16 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > C14145 > HMDB12475 > - > - > - > - > - > - > - > 71448902 > - > - > Active > - > https://lipidmaps.org/data/LMSDRecord.php?LMID=LMFA07050117 $$$$