LMFA07050294 LIPID_MAPS_STRUCTURE_DATABASE 59 62 0 0 0 0 999 V2000 26.7917 -11.8837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.1243 -11.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5368 -12.6683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.4568 -11.8837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.7118 -12.6683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.0217 -13.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0460 -15.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7888 -16.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3315 -16.3372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6171 -15.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9026 -16.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3599 -14.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6171 -15.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3599 -13.8622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9310 -13.8622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6454 -13.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0744 -12.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9474 -11.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3599 -12.2121 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.7724 -11.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6454 -12.6246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9309 -12.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7888 -12.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4388 -12.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0888 -12.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6138 -11.3871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6138 -13.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2638 -11.3871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2638 -13.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6138 -12.2121 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.2638 -12.2121 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.6722 -11.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2268 -13.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4018 -14.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0518 -14.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2268 -14.1608 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 25.2268 -14.9858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5763 -11.6288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.1895 -12.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9119 -10.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9039 -11.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1895 -13.0058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.7324 -10.9613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.6184 -12.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9040 -13.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6184 -13.0057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.3328 -11.7682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5033 -15.9247 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 22.2178 -17.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2178 -16.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9322 -15.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4717 -16.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7092 -15.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8842 -15.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8842 -17.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7092 -17.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1217 -16.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6467 -16.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6467 -17.1622 0.0000 H 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 58 2 0 0 0 0 58 52 1 0 0 0 0 54 52 2 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 53 57 2 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 58 59 1 4 0 0 0 M END > LMFA07050294 > Cinnamoyl-CoA > 3-Phenyl-2E-propenoyl-CoA > C30H42N7O17P3S > 897.16 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 3-phenylacryloyl-CoA;3-phenylacryloyl-coenzyme A;3-phenylprop-2-enoyl-coenzyme A;benzylideneacetyl-CoA;benzylideneacetyl-coenzyme A;beta-phenylacryloyl-CoA;beta-phenylacryloyl-coenzyme A;cinnamoyl-coenzyme A > JVNVHNHITFVWIX-FUEUKBNZSA-N > InChI=1S/C30H42N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h3-9,16-17,19,23-25,29,40-41H,10-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25+,29-/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([H])C2C=CC=CC=2)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > C00540 > - > 15463 > CoA 9:5 > - > - > 6444037 > - > 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] > -; -; -; -; - > - > - $$$$