LMFA07050130 LIPID_MAPS_STRUCTURE_DATABASE 72 74 0 0 0 0 999 V2000 10.9671 -2.6332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2997 -2.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7122 -3.4177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6322 -2.6332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8872 -3.4177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1971 -4.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5069 -7.0866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7925 -6.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -7.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5352 -5.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7925 -5.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5352 -4.6116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1064 -4.6116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -4.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2498 -3.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1227 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5352 -2.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9477 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -3.3741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1063 -2.9616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9642 -2.9616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6142 -2.9616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2642 -2.9616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7892 -2.1366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7892 -3.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4392 -2.1366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4392 -3.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7892 -2.9616 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.4392 -2.9616 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.8476 -2.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4022 -4.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5772 -4.9102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2272 -4.9102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4022 -4.9102 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.4022 -5.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7517 -2.3782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3649 -2.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0873 -1.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0793 -2.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3649 -3.7552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9077 -1.7107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7938 -2.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0794 -4.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7938 -3.7551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5082 -2.5177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5068 -7.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -8.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -9.1491 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0262 -9.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3663 -9.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 -9.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9225 -9.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9225 -10.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7687 -9.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 -9.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1712 -9.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8858 -9.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8858 -8.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1713 -7.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1713 -7.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8858 -6.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8858 -5.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 -5.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3147 -5.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0291 -5.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7437 -5.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7437 -6.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4581 -7.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4581 -7.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7435 -8.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7435 -9.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3876 -10.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 36 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 30 1 1 0 0 0 5 4 1 0 0 0 0 5 31 1 6 0 0 0 11 8 1 0 0 0 0 8 7 1 0 0 0 0 8 9 2 0 0 0 0 10 12 1 0 0 0 0 14 12 1 0 0 0 0 11 10 1 0 0 0 0 14 13 2 0 0 0 0 14 19 1 0 0 0 0 19 17 1 0 0 0 0 17 15 1 0 0 0 0 15 21 1 0 0 0 0 17 16 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 6 0 0 0 21 28 1 0 0 0 0 28 22 1 0 0 0 0 22 29 1 0 0 0 0 29 23 1 0 0 0 0 28 24 2 0 0 0 0 28 25 1 0 0 0 0 29 26 2 0 0 0 0 29 27 1 0 0 0 0 30 23 1 0 0 0 0 31 34 1 0 0 0 0 34 32 1 0 0 0 0 34 33 1 0 0 0 0 34 35 2 0 0 0 0 37 36 1 0 0 0 0 38 36 1 0 0 0 0 39 37 2 0 0 0 0 40 37 1 0 0 0 0 41 38 2 0 0 0 0 42 39 1 0 0 0 0 41 39 1 0 0 0 0 43 40 2 0 0 0 0 44 42 2 0 0 0 0 45 42 1 0 0 0 0 44 43 1 0 0 0 0 7 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 48 1 0 0 0 0 52 53 2 0 0 0 0 49 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 50 72 2 0 0 0 0 M END > LMFA07050130 > (7Z,10Z,13Z,16Z,19Z)-3-oxodocosapentaenoyl-CoA > 7Z,10Z,13Z,16Z,19Z-3-oxodocosapentaenoyl-CoA > C43H66N7O18P3S > 1093.34 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (7Z,10Z,13Z,16Z,19Z)-3-oxodocosapentaenoyl-coenzyme A;all-cis-3-oxodocosa-7,10,13,16,19-pentaenoyl-CoA;all-cis-3-oxodocosa-7,10,13,16,19-pentaenoyl-coenzyme A > SLYKKQSPRFJDAF-HVGANWHPSA-N > InChI=1S/C43H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4,7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38+,42-/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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 73887 > CoA 22:6;O > - > SLM:000000733 > 71581055 > - > 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] > -; -; -; -; -; - > - > - $$$$