LMFA07050126 LIPID_MAPS_STRUCTURE_DATABASE 74 76 0 0 0 0 999 V2000 9.1095 -9.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4495 -9.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7070 -9.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0058 -9.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0058 -10.4261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8520 -9.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 -9.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3077 -10.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6072 -10.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5930 -5.1477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9256 -4.6627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3381 -5.9322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2581 -5.1477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5131 -5.9322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8230 -6.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 -9.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5901 -9.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1327 -9.6011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4183 -9.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 -9.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1611 -7.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4183 -8.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1611 -7.1261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7323 -7.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4467 -6.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8757 -5.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 -4.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1611 -5.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5736 -4.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4467 -5.8886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7321 -5.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5901 -5.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2401 -5.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8901 -5.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4151 -4.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4151 -6.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0651 -4.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0651 -6.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4151 -5.4761 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.0651 -5.4761 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.4735 -4.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0281 -6.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2031 -7.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8531 -7.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0281 -7.4247 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.0281 -8.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3776 -4.8927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9907 -5.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7132 -4.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7051 -5.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9907 -6.2697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5336 -4.2252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4197 -5.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7053 -6.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4197 -6.2696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1341 -5.0322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3045 -9.1886 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5597 -9.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6072 -11.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3216 -12.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3216 -12.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0360 -13.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7504 -12.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4650 -13.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1794 -12.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1794 -12.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8939 -11.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8939 -10.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1795 -10.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1794 -9.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8938 -9.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6084 -9.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3229 -9.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4708 -10.4258 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 2 0 0 0 0 M END > LMFA07050126 > (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA > 6Z,9Z,12Z,15Z,18Z,21Z-3-oxotetracosahexaenoyl-CoA > C45H68N7O18P3S > 1119.36 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (6Z,9Z,12Z,15Z,18Z,21Z)-3-Oxotetracosahexa-6,9,12,15,18,21-enoyl-CoA;(6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosa-6,9,12,15,18,21-hexaenoyl-CoA;(6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosa-6,9,12,15,18,21-hexaenoyl-coenzyme A;(6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-coenzyme A;1-(3-oxo-6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl)-CoA;3-keto-THA-CoA;CoA(24:6(6Z,9Z,12Z,15Z,18Z,21Z)(3Ke)) > DNHDPAXPQGYGIJ-KWFBMMABSA-N > InChI=1S/C45H68N7O18P3S/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/h5-6,8-9,11-12,14-15,17-18,20-21,31-32,34,38-40,44,56-57H,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-/t34-,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 > - > HMDB0060313 > 65131 > CoA 24:7;O > - > SLM:000000765 > 70678653 > - > Fatty Acyls [FA]; 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]; Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110]; Carbocyclic fatty acids [FA0114] > -; -; -; -; -; - > - > - $$$$