LMFA07050422 LIPID_MAPS_STRUCTURE_DATABASE 64 66 0 0 0 999 V2000 17.0257 -6.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2201 -5.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7180 -7.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4145 -6.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7223 -7.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3033 -8.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8836 -11.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7802 -11.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 -11.9428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1590 -11.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2966 -11.9428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0554 -9.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1590 -10.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0554 -8.9555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3308 -8.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1931 -8.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9179 -7.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5575 -6.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0554 -6.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5533 -6.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1931 -7.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3306 -6.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7802 -6.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7717 -6.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7633 -6.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7760 -5.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7760 -7.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7675 -5.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7675 -7.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7760 -6.9638 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.7675 -6.9638 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.4675 -6.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1369 -8.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1411 -9.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1326 -9.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1369 -9.3159 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.1369 -10.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9728 -6.2597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7128 -6.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3778 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5751 -6.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7128 -7.9218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3681 -5.4541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4376 -6.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5754 -8.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4376 -7.9217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2999 -6.4280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6426 -11.4449 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.3673 -11.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2297 -11.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0921 -11.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9544 -11.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1654 -11.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5050 -11.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5050 -12.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0278 -11.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8902 -11.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7524 -11.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6150 -11.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4772 -11.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3396 -11.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2020 -11.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0643 -11.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2297 -12.9428 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 58 57 1 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 50 64 1 6 0 0 M END > LMFA07050422 > 3S-hydroxy-5Z-tetradecenoyl-CoA > 3S-hydroxy-5Z-tetradecenoyl-CoA > C35H60N7O18P3S > 991.29 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > KJJPUIFALMAQPF-SUAKZGBESA-N > InChI=1S/C35H60N7O18P3S/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/h11-12,21-24,28-30,34,43,46-47H,4-10,13-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b12-11-/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\CCCCCCCC)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 88072 > CoA 14:1;O > - > - > 91828295 > - > - > - > - > - > - > - $$$$