LMFA07050442 LIPID_MAPS_STRUCTURE_DATABASE 71 73 0 0 0 999 V2000 -17.2467 -7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2467 -8.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.3535 -6.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4599 -7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5664 -6.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6728 -7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7792 -6.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8857 -7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9921 -7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0985 -6.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2050 -7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3113 -7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4177 -6.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5242 -7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6306 -7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -6.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8435 -7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9499 -7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0563 -6.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1628 -7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2692 -7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6244 -6.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5179 -7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7617 -1.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5693 -1.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0702 -2.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3770 -1.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0685 -2.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4835 -3.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.9246 -6.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0257 -7.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.7891 -7.1847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -21.6536 -6.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.5182 -7.1847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.7548 -5.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.6536 -5.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.7548 -4.1897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -22.4838 -4.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.6193 -3.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.8902 -2.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.2540 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.7548 -2.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.2555 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.6193 -2.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.4838 -2.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.0257 -2.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.0292 -2.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0326 -2.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.0275 -1.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.0275 -3.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.0308 -1.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.0308 -3.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.0275 -2.1930 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -16.0308 -2.1930 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -14.3265 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6554 -3.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6538 -4.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6572 -4.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6554 -4.5510 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -13.6554 -5.5494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8123 -1.4871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0703 -2.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4063 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2059 -1.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0703 -3.1535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4133 -0.6795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3412 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2058 -3.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3412 -3.1533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4767 -1.6558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.1610 -6.6856 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 61 1 1 0 0 0 25 24 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 26 29 1 6 0 0 0 27 55 1 1 0 0 0 28 27 1 0 0 0 0 28 56 1 6 0 0 0 32 30 1 0 0 0 0 30 31 1 0 0 0 0 31 71 1 0 0 0 0 33 32 1 0 0 0 0 36 33 1 0 0 0 0 33 34 2 0 0 0 0 35 37 1 0 0 0 0 36 35 1 0 0 0 0 39 37 1 0 0 0 0 39 38 2 0 0 0 0 39 44 1 0 0 0 0 42 40 1 0 0 0 0 40 46 1 0 0 0 0 42 41 1 0 0 0 0 44 42 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 6 0 0 0 46 53 1 0 0 0 0 53 47 1 0 0 0 0 47 54 1 0 0 0 0 54 48 1 0 0 0 0 55 48 1 0 0 0 0 53 49 2 0 0 0 0 53 50 1 0 0 0 0 54 51 2 0 0 0 0 54 52 1 0 0 0 0 56 59 1 0 0 0 0 59 57 1 0 0 0 0 59 58 1 0 0 0 0 59 60 2 0 0 0 0 62 61 1 0 0 0 0 63 61 1 0 0 0 0 64 62 2 0 0 0 0 65 62 1 0 0 0 0 66 63 2 0 0 0 0 67 64 1 0 0 0 0 66 64 1 0 0 0 0 68 65 2 0 0 0 0 69 67 2 0 0 0 0 70 67 1 0 0 0 0 69 68 1 0 0 0 0 71 1 1 0 0 0 0 M END > LMFA07050442 > 3E,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-CoA > 3E,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-CoA > C43H66N7O17P3S > 1077.34 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > SMXVAIMPVOMQLT-OBGVZRINSA-N > InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,21-22,30-32,36-38,42,53-54H,4,7,10,13,16,19-20,23-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-,22-21+/t32-,36-,37-,38+,42-/m1/s1 > C(SCCNC(=O)CCNC([C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O1)N1C=NC2C(N)=NC=NC1=2)=O)(C/C=C/CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O > - > - > 85443 > CoA 22:6 > - > - > 90659884 > - > - > - > - > - > - > - $$$$