LMFA07050487 LIPID_MAPS_STRUCTURE_DATABASE 58 60 0 0 0 999 V2000 24.3011 8.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3210 8.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9859 9.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6362 9.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8111 10.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3419 9.8756 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.3205 9.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3632 9.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3418 10.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2927 10.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2927 9.8390 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.2712 9.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4846 9.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6371 9.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7896 9.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9423 9.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0948 9.9247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2473 9.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3678 9.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5204 9.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6728 9.9420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8254 9.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9459 9.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0665 9.4531 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.0948 10.9032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6724 10.9205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2189 9.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3715 9.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2189 10.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2790 10.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3005 10.7721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1479 8.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1265 8.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9423 8.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5208 8.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7828 8.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8315 8.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6062 10.0884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0159 10.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7015 7.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9206 7.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8874 11.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9068 11.1044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.2556 10.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4519 9.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2014 9.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3434 8.7537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.5396 8.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5939 8.5079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.0052 10.3918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7338 7.0716 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.8183 7.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5985 7.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7703 6.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5053 9.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3717 8.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6394 9.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7733 9.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 1 3 1 0 0 0 4 2 1 0 0 0 3 5 1 0 0 0 5 4 1 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 16 34 2 0 0 0 0 20 35 2 0 0 0 0 11 36 1 0 0 0 0 6 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 7 11 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 17 25 1 0 0 0 0 21 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 15 30 1 6 0 0 0 15 31 1 1 0 0 0 8 13 1 0 0 0 0 4 38 1 1 0 0 3 39 1 1 0 0 1 40 1 6 0 0 2 41 1 6 0 0 38 42 1 0 0 0 42 43 2 0 0 0 43 44 1 0 0 0 44 45 2 0 0 0 45 38 1 0 0 0 44 46 1 0 0 0 46 47 2 0 0 0 47 48 1 0 0 0 48 49 2 0 0 0 49 45 1 0 0 0 46 50 1 0 0 0 40 51 1 0 0 0 51 52 1 0 0 0 51 53 1 0 0 0 51 54 2 0 0 0 39 12 1 0 0 0 28 56 1 0 0 0 55 57 1 0 0 0 28 55 2 0 0 0 57 58 1 0 0 0 M END > LMFA07050487 > 2M2PE-CoA > 2-methyl-2E-pentenoyl-CoA > C27H44N7O17P3S > 863.17 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > Trans-2-Methyl-2-Pentenoyl-CoA; Trans-2-Methyl-Pentenoyl-Coenzyme A > FYNQHQFYGJBYBJ-XMGKPRLXSA-N > InChI=1S/C27H44N7O17P3S/c1-5-6-15(2)26(39)55-10-9-29-17(35)7-8-30-24(38)21(37)27(3,4)12-48-54(45,46)51-53(43,44)47-11-16-20(50-52(40,41)42)19(36)25(49-16)34-14-33-18-22(28)31-13-32-23(18)34/h6,13-14,16,19-21,25,36-37H,5,7-12H2,1-4H3,(H,29,35)(H,30,38)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b15-6+/t16-,19-,20-,21+,25-/m1/s1 > [C@@H]1(OP(=O)(O)O)[C@@H](COP(OP(=O)(OCC([C@@]([H])(O)C(N([H])CCC(N([H])CCSC(=O)/C(=C/CC)/C)=O)=O)(C)C)O)(=O)O)O[C@@H](N2C3N=CN=C(N)C=3N=C2)[C@@H]1O > - > - > - > CoA 6:1 > - > - > 121225619 > - > - > - > - > - > 9606 > 35568254 $$$$