LMFA07050146 LIPID_MAPS_STRUCTURE_DATABASE 64 66 0 0 0 0 999 V2000 13.5543 -19.0675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8869 -18.5827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2994 -19.8522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2194 -19.0675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4744 -19.8522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7843 -20.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8085 -23.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5514 -23.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0941 -23.5211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3797 -23.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6652 -23.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1225 -21.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3797 -22.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1225 -21.0461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6936 -21.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 -20.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8370 -19.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 -18.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1225 -19.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5350 -18.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 -19.8085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6934 -19.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5514 -19.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2014 -19.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8514 -19.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3764 -18.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3764 -20.2210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0264 -18.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0264 -20.2210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3764 -19.3960 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.0264 -19.3960 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.4347 -18.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9894 -20.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1644 -21.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8144 -21.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9894 -21.3447 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.9894 -22.1697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3389 -18.8127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9520 -19.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6745 -18.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6664 -18.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9520 -20.1897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4950 -18.1452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3810 -19.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6666 -20.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3810 -20.1895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0954 -18.9520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2659 -23.1086 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6949 -23.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4093 -23.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1238 -23.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8383 -23.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5527 -23.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2672 -23.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9816 -23.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6962 -23.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4106 -23.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1251 -23.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8396 -23.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5540 -23.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2685 -23.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9803 -23.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9803 -24.3461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5540 -24.3461 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 62 1 0 0 0 0 62 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 62 63 2 0 0 0 0 60 64 1 0 0 0 0 M END > LMFA07050146 > (E)-isopentadec-2-enoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-13-methyltetradec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} > C36H62N7O17P3S > 989.31 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (E)-13-methyltetradec-2-enoyl-CoA;(E)-13-methyltetradec-2-enoyl-coenzyme A;(E)-isopentadec-2-enoyl-coenzyme A > BRWSZHQQYCLCAA-LJMZAVAKSA-N > InChI=1S/C36H62N7O17P3S/c1-24(2)14-12-10-8-6-5-7-9-11-13-15-27(45)64-19-18-38-26(44)16-17-39-34(48)31(47)36(3,4)21-57-63(54,55)60-62(52,53)56-20-25-30(59-61(49,50)51)29(46)35(58-25)43-23-42-28-32(37)40-22-41-33(28)43/h13,15,22-25,29-31,35,46-47H,5-12,14,16-21H2,1-4H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/b15-13+/t25-,29-,30-,31+,35-/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(=O)/C=C/CCCCCCCCCC(C)C)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 71544 > CoA 15:1 > - > SLM:000000282 > 70680349 > - > 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] > -; -; -; -; - > - > - $$$$