LMFA07050377 LIPID_MAPS_STRUCTURE_DATABASE 57 59 0 0 0 0 999 V2000 13.7848 -4.9803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1174 -4.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5299 -5.7648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4499 -4.9803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7049 -5.7648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0148 -6.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0391 -9.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7819 -9.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -9.4337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6102 -9.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8957 -9.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 -7.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6102 -8.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 -6.9587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9241 -6.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6385 -6.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0675 -5.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -4.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 -5.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7655 -4.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6385 -5.7212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9240 -5.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7819 -5.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4319 -5.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0819 -5.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6069 -4.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6069 -6.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2569 -4.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2569 -6.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6069 -5.3087 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.2569 -5.3087 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.6653 -4.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2199 -6.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3949 -7.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0449 -7.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2199 -7.2573 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.2199 -8.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5694 -4.7253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1826 -5.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9050 -3.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8970 -4.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1826 -6.1023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7255 -4.0578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6115 -5.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8971 -6.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6115 -6.1023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3259 -4.8648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4964 -9.0212 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2109 -10.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2109 -9.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9253 -9.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6398 -9.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3543 -9.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0688 -9.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7832 -9.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4977 -9.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2122 -9.0213 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 13 10 1 0 0 0 0 10 9 1 0 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 11 2 0 0 0 0 12 14 1 0 0 0 0 16 14 1 0 0 0 0 13 12 1 0 0 0 0 16 15 2 0 0 0 0 16 21 1 0 0 0 0 21 19 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 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 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 32 25 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 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 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 M END > LMFA07050377 > trans,trans-octa-2,4-dienoyl-CoA > 2E,4E-octadienoyl-CoA > C29H46N7O17P3S > 889.19 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (2E,4E)-octa-2,4-dienoyl-CoA;(E,E)-octa-2,4-dienoyl-CoA;trans-Delta(2),trans-Delta(4)-octadienoyl-CoA > HOQIPZYVEOMJGX-FPWOLYQWSA-N > InChI=1S/C29H46N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h6-9,16-18,22-24,28,39-40H,4-5,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b7-6+,9-8+/t18-,22-,23-,24+,28-/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)[C@@H](O)C(=O)NCCC(=O)NCCSC(/C=C/C=C/CCC)=O)O1)N1C=NC2C(N)=NC=NC1=2 > - > HMDB02289 > 62408 > CoA 8:2 > - > - > 52921676 > - > 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] > -; -; -; -; - > - > - $$$$