LMFA07050467 LIPID_MAPS_STRUCTURE_DATABASE 59 61 0 0 0 999 V2000 11.5819 -14.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7727 -13.5903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2730 -15.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9638 -14.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2730 -15.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8605 -15.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4059 -19.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3062 -19.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5399 -19.5757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -19.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -19.5757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5743 -17.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -18.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5743 -16.5760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8426 -16.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 -16.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4402 -15.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0745 -13.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5743 -14.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0743 -13.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 -15.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8424 -14.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3062 -14.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3061 -14.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3059 -14.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3064 -13.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3064 -15.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3059 -13.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3059 -15.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3064 -14.5760 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.3059 -14.5760 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.0130 -13.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6851 -15.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6853 -16.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6851 -16.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6851 -16.9379 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.6851 -17.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5327 -13.8691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2760 -14.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9395 -12.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1420 -14.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2760 -15.5379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9342 -13.0599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0079 -14.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1421 -16.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0079 -15.5378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8738 -14.0381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1723 -19.0757 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 -19.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9039 -19.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 -20.5753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7762 -19.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6423 -19.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3329 -19.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1987 -19.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1985 -19.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0645 -19.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9306 -19.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5091 -19.5507 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 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 52 53 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 50 52 1 0 0 0 0 53 59 1 0 0 0 59 54 1 0 0 0 0 M END > LMFA07050467 > 3E,7Z-decadienoyl-CoA > 3E,7Z-decadienoyl-CoA > C31H50N7O17P3S > 917.22 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > PCKVSONOTLJORL-CYZPNBLMSA-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/h5-6,9-10,18-20,24-26,30,41-42H,4,7-8,11-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b6-5-,10-9+/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@@H](O)C(=O)NCCC(=O)NCCSC(=O)C/C=C/CC/C=C\CC)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > - > CoA 10:2 > - > - > 171119020 > - > - > - > - > - > - > - $$$$