LMFA07050251 LIPID_MAPS_STRUCTURE_DATABASE 59 61 0 0 0 0 999 V2000 30.4291 -1.7427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.7617 -1.2578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1742 -2.5273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.0942 -1.7427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.3492 -2.5273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.6591 -3.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6834 -5.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4262 -6.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9689 -6.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2545 -5.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5400 -6.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9973 -4.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2545 -4.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9973 -3.7212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5684 -3.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2828 -3.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7118 -2.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5848 -1.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9973 -2.0711 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.4098 -1.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2828 -2.4836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5683 -2.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4262 -2.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0762 -2.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7262 -2.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2512 -1.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2512 -2.8961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9012 -1.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9012 -2.8961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2512 -2.0711 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 26.9012 -2.0711 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 28.3096 -1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8642 -3.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0392 -4.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6892 -4.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8642 -4.0198 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 28.8642 -4.8448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2137 -1.4878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.8269 -2.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5493 -0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5413 -1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8269 -2.8648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.3698 -0.8203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.2558 -2.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5414 -3.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2558 -2.8647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.9702 -1.6272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.1407 -5.7837 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 26.5697 -5.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9986 -5.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7131 -6.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4276 -5.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8552 -6.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8552 -7.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1420 -7.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1420 -6.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8565 -5.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2841 -6.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2841 -7.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 3 6 1 6 0 0 0 4 32 1 1 0 0 0 5 4 1 0 0 0 0 5 33 1 6 0 0 0 9 7 1 0 0 0 0 7 8 1 0 0 0 0 8 48 1 0 0 0 0 10 9 1 0 0 0 0 13 10 1 0 0 0 0 10 11 2 0 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 16 21 1 0 0 0 0 19 17 1 0 0 0 0 17 23 1 0 0 0 0 19 18 1 0 0 0 0 21 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 6 0 0 0 23 30 1 0 0 0 0 30 24 1 0 0 0 0 24 31 1 0 0 0 0 31 25 1 0 0 0 0 32 25 1 0 0 0 0 30 26 2 0 0 0 0 30 27 1 0 0 0 0 31 28 2 0 0 0 0 31 29 1 0 0 0 0 33 36 1 0 0 0 0 36 34 1 0 0 0 0 36 35 1 0 0 0 0 36 37 2 0 0 0 0 39 38 1 0 0 0 0 40 38 1 0 0 0 0 41 39 2 0 0 0 0 42 39 1 0 0 0 0 43 40 2 0 0 0 0 44 41 1 0 0 0 0 43 41 1 0 0 0 0 45 42 2 0 0 0 0 46 44 2 0 0 0 0 47 44 1 0 0 0 0 46 45 1 0 0 0 0 48 53 1 0 0 0 0 53 49 1 0 0 0 0 49 58 1 0 0 0 0 58 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 56 1 0 0 0 0 53 54 2 0 0 0 0 56 55 2 0 0 0 0 56 57 1 0 0 0 0 58 59 2 0 0 0 0 M END > LMFA07050251 > 3-oxopimeloyl-CoA > 3-oxo-7-carboxy-heptanoyl-CoA > C28H44N7O20P3S > 923.16 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > KJXFOFKTZDJLMQ-UYRKPTJQSA-N > InChI=1S/C28H44N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-14,16,21-23,27,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t16-,21-,22-,23+,27-/m1/s1 > [C@@H]1([C@H](O)[C@H](OP(=O)(O)O)[C@@H](COP(O)(=O)OP(O)(=O)OCC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCC(O)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > C06715 > HMDB12158 > 15492 > CoA 7:2;O3 > - > - > 9543029 > - > Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110]; Carbocyclic fatty acids [FA0114] > -; -; -; -; -; - > - > - $$$$