LMFA07050460 LIPID_MAPS_STRUCTURE_DATABASE 64 66 0 0 0 999 V2000 11.5681 -14.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7601 -13.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2596 -15.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9521 -14.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2608 -15.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8465 -15.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4019 -19.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3011 -19.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -19.5524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -19.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8071 -19.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5713 -17.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -18.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5713 -16.5563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8415 -16.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 -16.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4362 -15.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -13.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5713 -14.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0706 -13.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 -15.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8414 -14.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3011 -14.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2986 -14.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2961 -14.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -13.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -15.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2973 -13.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2973 -15.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -14.5588 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.2973 -14.5588 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.0024 -13.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6737 -15.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6750 -16.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6724 -16.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6737 -16.9178 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.6737 -17.9165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5179 -13.8526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2603 -14.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9243 -12.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1253 -14.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2603 -15.5195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9177 -13.0445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9901 -14.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1254 -16.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9901 -15.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8550 -14.0215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1661 -19.0529 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0311 -19.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -19.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0311 -20.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7722 -19.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6372 -19.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5019 -19.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5008 -19.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3657 -19.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2307 -19.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2293 -19.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0943 -19.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9592 -19.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9577 -19.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8227 -19.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6878 -19.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7643 -20.5774 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 52 53 1 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 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 50 52 1 0 0 0 0 52 64 2 0 0 0 M END > LMFA07050460 > 3-oxo-5Z,8Z,11Z-tetradecatetraenoyl-CoA > 3-oxo-5Z,8Z,11Z-tetradecatetraenoyl-CoA > C35H54N7O18P3S > 985.25 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > LZPHKKSPJSVTSF-GOCLXFNCSA-N > InChI=1S/C35H54N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h5-6,8-9,11-12,21-22,24,28-30,34,46-47H,4,7,10,13-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b6-5-,9-8-,12-11-/t24-,28-,29-,30+,34-/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)C/C=C\C/C=C\C/C=C\CC)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > - > CoA 14:4;O > - > - > 171119039 > - > - > - > - > - > - > - $$$$