LMFA07050281 LIPID_MAPS_STRUCTURE_DATABASE 51 53 0 0 0 0 999 V2000 28.7797 -2.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9716 -1.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4710 -3.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1634 -2.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4722 -3.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0581 -4.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6122 -7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5116 -7.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7471 -7.8283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8822 -7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0171 -7.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7815 -5.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8822 -6.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7815 -4.8317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0515 -4.8317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9164 -4.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6466 -3.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2821 -1.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7815 -2.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2810 -1.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9164 -3.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0513 -2.8338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5116 -2.8338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5093 -2.8338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5071 -2.8338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5105 -1.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5105 -3.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5082 -1.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5082 -3.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5105 -2.8338 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.5082 -2.8338 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 26.2134 -2.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8849 -4.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8861 -5.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8838 -5.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8849 -5.1932 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 26.8849 -6.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7296 -2.1275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.4721 -2.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1360 -1.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3370 -2.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4721 -3.7948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.1294 -1.3194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.2021 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3371 -4.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2021 -3.7946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.0671 -2.2963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3767 -7.3289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 23.2418 -8.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2418 -7.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1067 -7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 4 32 1 1 0 0 5 4 1 0 0 0 5 33 1 6 0 0 9 7 1 0 0 0 7 8 1 0 0 0 8 48 1 0 0 0 10 9 1 0 0 0 13 10 1 0 0 0 10 11 2 0 0 0 12 14 1 0 0 0 13 12 1 0 0 0 16 14 1 0 0 0 16 15 2 0 0 0 16 21 1 0 0 0 19 17 1 0 0 0 17 23 1 0 0 0 19 18 1 0 0 0 21 19 1 0 0 0 19 20 1 0 0 0 21 22 1 6 0 0 23 30 1 0 0 0 30 24 1 0 0 0 24 31 1 0 0 0 31 25 1 0 0 0 32 25 1 0 0 0 30 26 2 0 0 0 30 27 1 0 0 0 31 28 2 0 0 0 31 29 1 0 0 0 33 36 1 0 0 0 36 34 1 0 0 0 36 35 1 0 0 0 36 37 2 0 0 0 39 38 1 0 0 0 40 38 1 0 0 0 41 39 2 0 0 0 42 39 1 0 0 0 43 40 2 0 0 0 44 41 1 0 0 0 43 41 1 0 0 0 45 42 2 0 0 0 46 44 2 0 0 0 47 44 1 0 0 0 46 45 1 0 0 0 48 50 1 0 0 0 50 49 2 0 0 0 50 51 1 0 0 0 M END > LMFA07050281 > Acetyl-CoA > Acetyl-CoA > C23H38N7O17P3S > 809.13 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > AcCoA;S-acetyl-CoA;S-acetyl-coenzyme A > ZSLZBFCDCINBPY-ZSJPKINUSA-N > InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/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(C)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > C00024 > HMDB0001206 > 15351 > CoA 2:0 > - > - > 444493 > - > 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] > -; -; -; -; - > - > - $$$$