LMFA07050282 LIPID_MAPS_STRUCTURE_DATABASE 52 54 0 0 0 0 999 V2000 24.7430 -1.4912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.0756 -1.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4881 -2.2758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4081 -1.4912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6631 -2.2758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.9730 -2.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9973 -5.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7401 -5.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2828 -5.9447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5684 -5.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8539 -5.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3112 -4.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5684 -4.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3112 -3.4697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8823 -3.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5967 -3.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0257 -2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8987 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3112 -1.8196 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.7237 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5967 -2.2321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8822 -1.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7401 -1.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3901 -1.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0401 -1.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5651 -0.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5651 -2.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2151 -0.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2151 -2.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5651 -1.8196 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 21.2151 -1.8196 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.6235 -1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1781 -2.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3531 -3.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0031 -3.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1781 -3.7683 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.1781 -4.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5276 -1.2363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.1408 -1.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8632 -0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8552 -1.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1408 -2.6133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.6837 -0.5688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.5697 -1.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8553 -3.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5697 -2.6132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.2841 -1.3757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4546 -5.5322 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.1691 -6.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1691 -5.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8836 -5.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5981 -5.9447 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 2 0 0 0 0 M END > LMFA07050282 > acryloyl-CoA > 2-propenyl-CoA > C24H38N7O17P3S > 821.13 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > Acryloyl-coa;Acryloyl-coenzyme A;Acrylyl-coa;Coenzyme A, S-2-propenoate > POODSGUMUCVRTR-IEXPHMLFSA-N > InChI=1S/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/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=C)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > C00894 > HMDB02307 > 15513 > CoA 3:1 > - > - > 9543026 > - > 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] > -; -; -; -; - > - > - $$$$