LMFA07050140 LIPID_MAPS_STRUCTURE_DATABASE 74 76 0 0 0 0 999 V2000 13.2428 -2.3326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5754 -1.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9879 -3.1172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9079 -2.3326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1629 -3.1172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4728 -3.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4971 -6.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2399 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7826 -6.7861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0682 -6.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3537 -6.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 -5.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0682 -5.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 -4.3111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3821 -4.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0965 -3.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5255 -3.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3985 -1.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 -2.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2235 -1.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0965 -3.0735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3820 -2.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2399 -2.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8899 -2.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5399 -2.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0649 -1.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0649 -3.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7149 -1.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7149 -3.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0649 -2.6610 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.7149 -2.6610 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.1233 -2.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6779 -3.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8529 -4.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5029 -4.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6779 -4.6097 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.6779 -5.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0274 -2.0777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6406 -2.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3630 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3550 -2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6406 -3.4547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1835 -1.4102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0695 -2.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3551 -3.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0695 -3.4546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7839 -2.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9544 -6.3736 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6689 -7.6111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6689 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3833 -6.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0978 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6702 -6.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3846 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2096 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9241 -6.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6386 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4636 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1780 -6.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8925 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7175 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4320 -6.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1465 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9715 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6859 -6.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4004 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2254 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9399 -6.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6543 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8123 -6.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5267 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2412 -6.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9557 -6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0978 -7.6111 0.0000 O 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 9 7 1 0 0 0 0 7 8 1 0 0 0 0 8 48 1 0 0 0 0 10 9 1 0 0 0 0 13 10 1 0 0 0 0 10 11 2 0 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 16 21 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 21 19 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 32 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 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 48 50 1 0 0 0 0 50 49 2 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 52 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 53 1 0 0 0 0 52 74 2 0 0 0 0 M END > LMFA07050140 > (9Z,12Z,15Z,18Z,21Z)-3-oxotetracosapentaenoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z,15Z,18Z,21Z)-3-oxotetracosa-7,10,13,16,19,21-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C45H70N7O18P3S > 1121.37 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (9Z,12Z,15Z,18Z,21Z)-3-oxotetracosapentaenoyl-coenzyme A > UQPANOGFYCZRAV-AFQBPCMKSA-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/h5-6,8-9,11-12,14-15,17-18,31-32,34,38-40,44,56-57H,4,7,10,13,16,19-30H2,1-3H3,(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-/t34-,38-,39-,40+,44-/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@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 73876 > CoA 24:6;O > - > SLM:000000735 > 71581010 > - > 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] > -; -; -; -; -; - > - > - $$$$