LMFA07050458 LIPID_MAPS_STRUCTURE_DATABASE 63 65 0 0 0 999 V2000 11.5682 -14.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7602 -13.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2597 -15.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9522 -14.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2609 -15.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8466 -15.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4019 -19.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3011 -19.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -19.5525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -19.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8071 -19.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5713 -17.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -18.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5713 -16.5564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8415 -16.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 -16.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4362 -15.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -13.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5713 -14.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0706 -13.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 -15.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8414 -14.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3011 -14.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2986 -14.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2961 -14.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -13.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -15.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2973 -13.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2973 -15.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -14.5589 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.2973 -14.5589 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.0024 -13.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6738 -15.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6750 -16.9179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6725 -16.9179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6738 -16.9179 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.6738 -17.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5180 -13.8527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2604 -14.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9244 -12.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1254 -14.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2604 -15.5196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9178 -13.0446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9902 -14.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1255 -16.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9902 -15.5195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8551 -14.0216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1661 -19.0530 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0311 -19.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -19.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0311 -20.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7722 -19.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6372 -19.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5020 -19.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5009 -19.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3658 -19.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2308 -19.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2294 -19.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0944 -19.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9593 -19.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9578 -19.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8228 -19.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6879 -19.5775 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 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 2 0 0 0 0 M END > LMFA07050458 > 2E,5Z,8Z,11Z-tetradecatetraenoyl-CoA > 2E,5Z,8Z,11Z-tetradecatetraenoyl-CoA > C35H54N7O17P3S > 969.25 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > CQYUIXMUJFYAOM-LHRXPXMPSA-N > InChI=1S/C35H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h5-6,8-9,11-12,14-15,22-24,28-30,34,45-46H,4,7,10,13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b6-5-,9-8-,12-11-,15-14+/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)/C=C/C/C=C\C/C=C\C/C=C\CC)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > - > CoA 14:4 > - > - > 171118895 > - > - > - > - > - > - > - $$$$