LMFA07050495 LIPID_MAPS_STRUCTURE_DATABASE 70 72 0 0 0 0 0 0 0 0999 V2000 11.2983 -4.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4900 -3.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9895 -5.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6815 -4.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9904 -5.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5768 -6.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1285 -9.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 -9.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2632 -9.7330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -9.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5326 -9.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2976 -7.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -8.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2976 -6.7355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -6.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4322 -6.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1629 -5.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -3.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2976 -4.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7971 -3.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4322 -5.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 -4.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 -4.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0264 -4.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0248 -4.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0273 -3.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0273 -5.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0256 -3.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0256 -5.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0273 -4.7371 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.0256 -4.7371 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.7313 -4.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4030 -6.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4038 -7.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4022 -7.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4030 -7.0972 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.4030 -8.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2485 -4.0306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9911 -4.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6549 -3.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8563 -4.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9911 -5.6983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6486 -3.2222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7217 -4.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8565 -6.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7217 -5.6982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5869 -4.1995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8934 -9.2334 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 -9.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4893 -9.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3547 -9.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2200 -9.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0852 -9.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9505 -9.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7588 -9.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7588 -10.7322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8159 -9.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8150 -9.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6803 -9.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5456 -9.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5447 -9.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4101 -9.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2754 -9.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2746 -9.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1398 -9.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0051 -9.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8705 -9.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7357 -9.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6010 -9.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4893 -10.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 4 32 1 1 0 0 5 4 1 0 0 0 5 33 1 6 0 0 13 10 1 0 0 0 10 9 1 0 0 0 9 7 1 0 0 0 7 8 1 0 0 0 8 48 1 0 0 0 10 11 2 0 0 0 12 14 1 0 0 0 16 14 1 0 0 0 13 12 1 0 0 0 16 15 2 0 0 0 16 21 1 0 0 0 21 19 1 0 0 0 19 17 1 0 0 0 17 23 1 0 0 0 19 18 1 0 0 0 19 20 1 0 0 0 21 22 1 6 0 0 23 30 1 0 0 0 30 24 1 0 0 0 24 31 1 0 0 0 31 25 1 0 0 0 30 26 2 0 0 0 30 27 1 0 0 0 31 28 2 0 0 0 31 29 1 0 0 0 32 25 1 0 0 0 33 36 1 0 0 0 36 34 1 0 0 0 36 35 1 0 0 0 36 37 2 0 0 0 39 38 1 0 0 0 40 38 1 0 0 0 41 39 2 0 0 0 42 39 1 0 0 0 43 40 2 0 0 0 44 41 1 0 0 0 43 41 1 0 0 0 45 42 2 0 0 0 46 44 2 0 0 0 47 44 1 0 0 0 46 45 1 0 0 0 48 55 1 0 0 0 55 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 57 1 0 0 0 55 56 2 0 0 0 57 58 2 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 2 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 2 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 50 70 1 1 0 0 M END > LMFA07050495 > > 3R-hydroxy-8Z,11Z,14Z-eicosatrienoyl-CoA > C41H68N7O18P3S > 1071.36 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > GFVFSXUAKLZOGC-NULWUIHISA-N > InChI=1S/C41H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h8-9,11-12,14-15,27-30,34-36,40,49,52-53H,4-7,10,13,16-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b9-8-,12-11-,15-14-/t29-,30-,34-,35-,36+,40-/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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCCC/C=C\C/C=C\C/C=C\CCCCC)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 76536 > CoA 20:3;O > - > - > 72551501 > - > Fatty Acyls [FA]; Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105] > -; - > - > - $$$$