LMFA07050122 LIPID_MAPS_STRUCTURE_DATABASE 69 71 0 0 0 0 999 V2000 13.6872 -10.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4017 -10.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1162 -10.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8307 -10.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5450 -10.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5450 -9.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2596 -9.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2596 -8.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5451 -7.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5451 -7.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8307 -6.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1162 -7.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4017 -6.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6872 -7.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6872 -7.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9728 -8.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2584 -7.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6872 -9.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9728 -9.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5439 -9.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8295 -7.8259 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5439 -8.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8255 -2.5475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1581 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5706 -3.3320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4906 -2.5475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7456 -3.3320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0555 -3.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0798 -6.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8226 -7.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3653 -7.0009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6509 -6.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9364 -7.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3936 -5.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6509 -5.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3936 -4.5259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9648 -4.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -4.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1082 -3.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9811 -2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3936 -2.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8061 -2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -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 10.8226 -2.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4726 -2.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1226 -2.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6476 -2.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6476 -3.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2976 -2.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2976 -3.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6476 -2.8759 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.2976 -2.8759 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.7060 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2606 -3.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4356 -4.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0856 -4.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2606 -4.8245 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.2606 -5.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6101 -2.2925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2233 -2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9457 -1.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9377 -2.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2233 -3.6695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7661 -1.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6522 -2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9378 -4.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6522 -3.6694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3666 -2.4320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18 1 1 0 0 0 0 1 2 2 0 0 0 0 2 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 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 22 1 0 0 0 0 18 19 1 0 0 0 0 22 20 2 0 0 0 0 22 21 1 0 0 0 0 23 60 1 1 0 0 0 24 23 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 25 28 1 6 0 0 0 26 54 1 1 0 0 0 27 26 1 0 0 0 0 27 55 1 6 0 0 0 35 32 1 0 0 0 0 32 31 1 0 0 0 0 31 29 1 0 0 0 0 29 30 1 0 0 0 0 32 33 2 0 0 0 0 34 36 1 0 0 0 0 38 36 1 0 0 0 0 35 34 1 0 0 0 0 38 37 2 0 0 0 0 38 43 1 0 0 0 0 43 41 1 0 0 0 0 41 39 1 0 0 0 0 39 45 1 0 0 0 0 41 40 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 6 0 0 0 45 52 1 0 0 0 0 52 46 1 0 0 0 0 46 53 1 0 0 0 0 53 47 1 0 0 0 0 52 48 2 0 0 0 0 52 49 1 0 0 0 0 53 50 2 0 0 0 0 53 51 1 0 0 0 0 54 47 1 0 0 0 0 55 58 1 0 0 0 0 58 56 1 0 0 0 0 58 57 1 0 0 0 0 58 59 2 0 0 0 0 61 60 1 0 0 0 0 62 60 1 0 0 0 0 63 61 2 0 0 0 0 64 61 1 0 0 0 0 65 62 2 0 0 0 0 66 63 1 0 0 0 0 65 63 1 0 0 0 0 67 64 2 0 0 0 0 68 66 2 0 0 0 0 69 66 1 0 0 0 0 68 67 1 0 0 0 0 30 21 1 0 0 0 0 M END > LMFA07050122 > (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA > 5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl-CoA > C41H64N7O17P3S > 1051.33 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA;(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA;20:5(n-3);5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl-CoA;CoA(20:5(5Z,8Z,11Z,14Z,17Z));all-cis-5,8,11,14,17-eicosapentaenoyl-CoA;all-cis-5,8,11,14,17-icosapentaenoyl-CoA > JWZLRYCDDXHXDL-LCMHIRPZSA-N > InChI=1S/C41H64N7O17P3S/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/h5-6,8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4,7,10,13,16,19-27H2,1-3H3,(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-,18-17-/t30-,34-,35-,36+,40-/m1/s1 > C(=C/C/C=C\C/C=C\C/C=C\C/C=C\CCCC(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)=O)/CC > - > HMDB0060311 > 63539 > CoA 20:5 > - > - > 56927904 > - > 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] > -; -; -; -; - > - > - $$$$