LMFA07050134 LIPID_MAPS_STRUCTURE_DATABASE 69 71 0 0 0 0 999 V2000 16.8256 -2.5475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1582 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5707 -3.3320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4907 -2.5475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7457 -3.3320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0556 -3.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0799 -6.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8227 -7.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3654 -7.0010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6510 -6.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9364 -7.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3937 -5.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6510 -5.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3937 -4.5259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9649 -4.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 -4.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 -3.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9812 -2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3937 -2.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8062 -2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 -3.2884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9647 -2.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8227 -2.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4727 -2.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1227 -2.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6477 -2.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6477 -3.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2977 -2.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2977 -3.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6477 -2.8759 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.2977 -2.8759 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.7061 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2607 -3.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4357 -4.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0857 -4.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2607 -4.8246 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.2607 -5.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6102 -2.2925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2234 -2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9458 -1.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9378 -2.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2234 -3.6695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7663 -1.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6524 -2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9380 -4.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6524 -3.6694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3668 -2.4320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5319 -6.5796 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.3898 -6.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6754 -6.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9609 -6.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2464 -7.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2464 -6.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1043 -6.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1043 -10.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8187 -10.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5332 -10.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2477 -10.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9621 -10.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9621 -9.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6766 -9.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6766 -8.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9621 -7.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9621 -6.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2477 -6.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5332 -6.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8187 -6.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1043 -9.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3899 -9.0545 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 13 10 1 0 0 0 0 10 9 1 0 0 0 0 9 7 1 0 0 0 0 7 8 1 0 0 0 0 10 11 2 0 0 0 0 12 14 1 0 0 0 0 16 14 1 0 0 0 0 13 12 1 0 0 0 0 16 15 2 0 0 0 0 16 21 1 0 0 0 0 21 19 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 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 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 32 25 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 8 48 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 53 1 0 0 0 0 53 52 2 0 0 0 0 53 48 1 0 0 0 0 49 54 1 0 0 0 0 68 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 54 1 0 0 0 0 68 69 1 0 0 0 0 M END > LMFA07050134 > (8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA > 8Z,11Z,14Z,17Z-eicosatetraenoyl-CoA > C41H66N7O17P3S > 1053.34 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA;(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA;20:4(n-3);8Z,11Z,14Z,17Z-eicosatetraenoyl-CoA;CoA(20:4(8Z,11Z,14Z,17Z));all-cis-8,11,14,17-eicosatetraenoyl-CoA;all-cis-8,11,14,17-icosatetraenoyl-CoA > PLHICYKOPITJJT-QWOXCLFSSA-N > InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,28-30,34-36,40,51-52H,4,7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-,15-14-/t30-,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)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 63542 > CoA 20:4 > - > - > 56928013 > - > Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110]; Carbocyclic fatty acids [FA0114] > -; -; -; -; - > - > - $$$$