LMFA07050125 LIPID_MAPS_STRUCTURE_DATABASE 74 76 0 0 0 0 999 V2000 10.7024 -6.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0424 -6.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2999 -6.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5987 -6.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5987 -7.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4449 -6.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8732 -6.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9006 -7.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2001 -7.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1859 -2.1748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5185 -1.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9310 -2.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8510 -2.1748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1060 -2.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4159 -3.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4401 -6.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1830 -6.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7256 -6.6282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0112 -6.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2968 -6.6282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7540 -4.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0112 -5.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7540 -4.1532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -4.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0396 -3.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4686 -2.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3415 -1.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7540 -2.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1665 -1.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0396 -2.9157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3250 -2.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1830 -2.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8330 -2.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4830 -2.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0080 -1.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0080 -3.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6580 -1.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6580 -3.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0080 -2.5032 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.6580 -2.5032 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.0664 -1.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6210 -3.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7960 -4.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4460 -4.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6210 -4.4518 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.6210 -5.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9705 -1.9198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5836 -2.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3061 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2980 -2.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5836 -3.2968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1265 -1.2523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0126 -2.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2982 -3.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0126 -3.2967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7270 -2.0593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8974 -6.2157 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1526 -6.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2001 -8.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9145 -9.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9145 -9.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6289 -10.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3433 -9.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0579 -10.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7723 -9.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7723 -9.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4868 -8.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4868 -7.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7724 -7.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7723 -6.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4867 -6.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2013 -6.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9158 -6.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0637 -7.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 57 1 0 0 0 0 4 5 2 0 0 0 0 1 6 1 0 0 0 0 58 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 47 1 1 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 12 15 1 6 0 0 0 13 41 1 1 0 0 0 14 13 1 0 0 0 0 14 42 1 6 0 0 0 22 19 1 0 0 0 0 19 18 1 0 0 0 0 18 16 1 0 0 0 0 16 17 1 0 0 0 0 17 57 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 25 23 1 0 0 0 0 22 21 1 0 0 0 0 25 24 2 0 0 0 0 25 30 1 0 0 0 0 30 28 1 0 0 0 0 28 26 1 0 0 0 0 26 32 1 0 0 0 0 28 27 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 6 0 0 0 32 39 1 0 0 0 0 39 33 1 0 0 0 0 33 40 1 0 0 0 0 40 34 1 0 0 0 0 39 35 2 0 0 0 0 39 36 1 0 0 0 0 40 37 2 0 0 0 0 40 38 1 0 0 0 0 41 34 1 0 0 0 0 42 45 1 0 0 0 0 45 43 1 0 0 0 0 45 44 1 0 0 0 0 45 46 2 0 0 0 0 48 47 1 0 0 0 0 49 47 1 0 0 0 0 50 48 2 0 0 0 0 51 48 1 0 0 0 0 52 49 2 0 0 0 0 53 50 1 0 0 0 0 52 50 1 0 0 0 0 54 51 2 0 0 0 0 55 53 2 0 0 0 0 56 53 1 0 0 0 0 55 54 1 0 0 0 0 6 58 1 0 0 0 0 9 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 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 2 74 1 0 0 0 0 M END > LMFA07050125 > (6Z,9Z,12Z,15Z,18Z,21Z)-3-hydroxytetracosahexaenoyl-CoA > 3-hydroxy-6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl-CoA > C45H70N7O18P3S > 1121.37 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (6Z,9Z,12Z,15Z,18Z,21Z)-3-hydroxytetracosa-6,9,12,15,18,21-hexaenoyl-CoA;(6Z,9Z,12Z,15Z,18Z,21Z)-3-hydroxytetracosa-6,9,12,15,18,21-hexaenoyl-coenzyme A;(6Z,9Z,12Z,15Z,18Z,21Z)-3-hydroxytetracosahexaenoyl-coenzyme A;1-(3-hydroxy-6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl)-CoA;1-3-hydroxy-THA-CoA;CoA(24:6(6Z,9Z,12Z,15Z,18Z,21Z)(3OH)) > JJCGUWRDULVWQG-MOYVEXGTSA-N > InChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4,7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t33?,34-,38-,39-,40+,44-/m1/s1 > C(C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C(O)CC(=O)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 > - > HMDB0060312 > 65130 > CoA 24:6;O > - > - > 70678621 > - > 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] > -; -; -; -; - > - > - $$$$