LMFA07050402 LIPID_MAPS_STRUCTURE_DATABASE 61 63 0 0 0 999 V2000 40.6188 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8106 -0.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.3101 -1.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0024 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3111 -1.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8973 -2.7548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4500 -5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3496 -6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5848 -6.3895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.7197 -5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8544 -6.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6192 -4.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7197 -4.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6192 -3.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.8888 -3.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7540 -2.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4844 -1.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1197 -0.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6192 -1.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1187 -0.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7540 -1.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8887 -1.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3496 -1.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3477 -1.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.3458 -1.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3486 -0.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3486 -2.3931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3467 -0.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3467 -2.3931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3486 -1.3941 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 36.3467 -1.3941 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 38.0523 -0.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.7239 -2.7548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.7248 -3.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.7228 -3.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.7239 -3.7539 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 38.7239 -4.7530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.5689 -0.6877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 42.3115 -1.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.9753 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1766 -0.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3115 -2.3552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 42.9689 0.1206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 44.0419 -1.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1768 -2.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.0419 -2.3551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 44.9070 -0.8565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.2148 -5.8899 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 35.0800 -7.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0800 -6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9453 -5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8104 -6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6756 -5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5409 -6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.4059 -5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.2711 -6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1364 -5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0016 -6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8667 -5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7320 -6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5972 -5.8899 0.0000 C 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 50 1 0 0 0 0 50 49 2 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 M END > LMFA07050402 > 8E,10-Dodecadienoyl-CoA > 8E,10-Dodecadienoyl-CoA > C33H54N7O17P3S > 945.25 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > LGIVCJVHKAFGGL-LOIYTIAWSA-N > InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h4-7,20-22,26-28,32,43-44H,8-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b5-4+,7-6+/t22-,26-,27-,28+,32-/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(CCCCCC/C=C/C=C/C)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > - > CoA 12:2 > - > - > 91820335 > - > 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] > Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110]; Carbocyclic fatty acids [FA0114] > -; -; -; -; - > 82600 > 33892710 $$$$