LMFA07050464 LIPID_MAPS_STRUCTURE_DATABASE 62 64 0 0 0 999 V2000 11.5768 -14.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7681 -13.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2681 -15.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9595 -14.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2685 -15.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8553 -15.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4044 -19.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3043 -19.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 -19.5671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6733 -19.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8077 -19.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5732 -17.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6733 -18.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5732 -16.5687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8422 -16.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7076 -16.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4387 -15.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0736 -13.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5732 -14.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0729 -13.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7076 -15.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -14.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3043 -14.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3033 -14.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 -14.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -13.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -15.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3028 -13.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3028 -15.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -14.5697 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.3028 -14.5697 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.0091 -13.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6809 -15.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6815 -16.9305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6804 -16.9305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6809 -16.9305 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.6809 -17.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5273 -13.8630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2702 -14.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9339 -12.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1358 -14.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2702 -15.5311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9281 -13.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0013 -14.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1359 -16.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0013 -15.5310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8669 -14.0320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 -19.0673 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0356 -19.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9009 -19.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0356 -20.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7827 -19.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4728 -19.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3385 -19.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3378 -19.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2035 -19.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0689 -19.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0682 -19.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9339 -19.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7996 -19.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6453 -19.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7906 -20.5670 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 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 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 1 0 0 0 0 50 52 1 0 0 0 0 52 61 1 0 0 0 61 53 1 0 0 0 0 52 62 2 0 0 0 M END > LMFA07050464 > 3-oxo-6Z,9Z-dodecatrienoyl-CoA > 3-oxo-6Z,9Z-dodecatrienoyl-CoA > C33H52N7O18P3S > 959.23 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > DFTQFOYBHUUHMQ-GEKZHSOESA-N > InChI=1S/C33H52N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h5-6,8-9,19-20,22,26-28,32,44-45H,4,7,10-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/b6-5-,9-8-/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(=O)CC(=O)CC/C=C\C/C=C\CC)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > - > CoA 12:3;O > - > - > 171119042 > - > - > - > - > - > - > - $$$$