LMFA07050376 LIPID_MAPS_STRUCTURE_DATABASE 59 61 0 0 0 0 999 V2000 13.7849 -4.9803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1175 -4.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5300 -5.7649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4500 -4.9803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7050 -5.7649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0149 -6.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0392 -9.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7820 -9.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -9.4338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6102 -9.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -9.4338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3531 -7.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6102 -8.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3531 -6.9588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9241 -6.9588 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 7.0676 -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 6.3531 -5.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7656 -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 4.9241 -5.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7820 -5.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4320 -5.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0820 -5.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6070 -4.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6070 -6.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2570 -4.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2570 -6.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6070 -5.3087 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.2570 -5.3087 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.6654 -4.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2200 -6.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3950 -7.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0450 -7.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2200 -7.2574 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.2200 -8.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5695 -4.7254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1827 -5.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9052 -3.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8971 -4.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1827 -6.1024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7256 -4.0579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6116 -5.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8972 -6.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6116 -6.1023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3260 -4.8648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4965 -9.0213 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2110 -10.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2110 -9.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9254 -9.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6399 -9.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3544 -9.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0689 -9.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7833 -9.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4978 -9.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2123 -9.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9267 -9.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6413 -9.0216 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 57 58 1 0 0 0 0 58 59 1 0 0 0 0 M END > LMFA07050376 > trans,trans-deca-2,4-dienoyl-CoA > 2E,4E-decadienoyl-CoA > C31H50N7O17P3S > 917.22 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (2E,4E)-deca-2,4-dienoyl-CoA;(E,E)-deca-2,4-dienoyl-CoA;trans-Delta(2),trans-Delta(4)-decadienoyl-CoA > FASAKYLWSRDQOH-PPQZQFPZSA-N > InChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-11,18-20,24-26,30,41-42H,4-7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b9-8+,11-10+/t20-,24-,25-,26+,30-/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/CCCCC)=O)O1)N1C=NC2C(N)=NC=NC1=2 > - > HMDB01168 > 62409 > CoA 10:2 > - > SLM:000390080 > 52921674 > - > 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] > -; -; -; -; - > - > - $$$$