LMFA07050400 LIPID_MAPS_STRUCTURE_DATABASE 53 55 0 0 0 0 999 V2000 25.6404 -1.5952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.9730 -1.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3855 -2.3798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.3055 -1.5952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.5605 -2.3798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8704 -3.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8947 -5.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -6.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1802 -6.0487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4658 -5.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7513 -6.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2086 -4.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4658 -4.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2086 -3.5737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7797 -3.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4941 -3.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9231 -2.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7961 -1.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2086 -1.9236 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.6211 -1.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4941 -2.3361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7796 -1.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -1.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2875 -1.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9375 -1.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4625 -1.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4625 -2.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1125 -1.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1125 -2.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4625 -1.9236 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.1125 -1.9236 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.5209 -1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0755 -3.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2505 -3.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9005 -3.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0755 -3.8723 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.0755 -4.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4250 -1.3403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.0382 -1.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7606 -0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7526 -1.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0382 -2.7173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.5811 -0.6728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.4671 -1.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7527 -3.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4671 -2.7172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.1815 -1.4797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3520 -5.6362 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.0665 -6.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0665 -6.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7809 -5.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4954 -6.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2099 -5.6362 0.0000 C 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 52 53 2 0 0 0 0 M END > LMFA07050400 > vinylacetyl-CoA > 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(but-3-enoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) > C25H40N7O17P3S > 835.14 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > but-3-enoyl-CoA > UATIGEHITDTAGF-CITAKDKDSA-N > InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4,12-14,18-20,24,35-36H,1,5-11H2,2-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/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=C)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 15543 > CoA 4:1 > - > - > 11966119 > - > 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] > -; -; -; -; - > - > - $$$$