LMFA07050469 LIPID_MAPS_STRUCTURE_DATABASE 64 66 0 0 0 999 V2000 16.9634 -6.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1609 -5.9603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6570 -7.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3582 -6.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6649 -7.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2401 -8.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8511 -11.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7444 -11.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9920 -11.8992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1327 -11.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2734 -11.8992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0260 -9.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1327 -10.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0260 -8.9228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3076 -8.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -8.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8852 -7.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5299 -6.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0260 -6.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5221 -6.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -7.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3075 -6.9382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7444 -6.9382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7286 -6.9382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7129 -6.9382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7365 -5.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7365 -7.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7208 -5.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7208 -7.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7365 -6.9382 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.7208 -6.9382 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.4145 -6.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0815 -8.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0893 -9.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0737 -9.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0815 -9.2817 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.0815 -10.2739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9071 -6.2369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6444 -6.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3107 -5.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5035 -6.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6444 -7.8927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2973 -5.4342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3629 -6.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5038 -8.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3629 -7.8927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2220 -6.4044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6037 -11.4031 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.3220 -11.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1814 -11.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0405 -11.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8996 -11.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1063 -11.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4629 -11.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4629 -12.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9655 -11.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8247 -11.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0539 -11.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9131 -11.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7724 -11.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6316 -11.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4908 -11.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3500 -11.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1815 -12.8992 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 54 1 0 0 0 0 54 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 54 55 2 0 0 0 0 56 53 1 0 0 0 0 57 56 1 0 0 0 0 57 58 2 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 50 64 1 6 0 0 M END > LMFA07050469 > 3S-hydroxy-5Z,8Z-tetradecadienoyl-CoA > 3S-hydroxy-5Z,8Z-tetradecadienoyl-CoA > C35H58N7O18P3S > 989.28 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > SDWYDRDZISFNSH-ZYWVLTFSSA-N > InChI=1S/C35H58N7O18P3S/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/h8-9,11-12,21-24,28-30,34,43,46-47H,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)/b9-8-,12-11-/t23-,24+,28+,29+,30-,34+/m0/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@@H](O)C/C=C\C/C=C\CCCCC)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > - > CoA 14:2;O > - > - > 162393679 > - > - > - > - > - > - > - $$$$