LMFA07050165 LIPID_MAPS_STRUCTURE_DATABASE 57 59 0 0 0 0 999 V2000 3.9870 2.0769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3197 2.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7322 1.2923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6522 2.0769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9072 1.2923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2172 0.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7587 -1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 -2.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4732 -2.3766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1876 -1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9021 -2.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4448 -0.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1876 -1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4448 0.0984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8736 0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1592 0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7303 1.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8573 2.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4448 1.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0323 2.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1592 1.3361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8738 1.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 1.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 1.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2841 1.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1909 2.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1909 0.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4591 2.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4591 0.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1909 1.7486 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4591 1.7486 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.8675 2.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4222 0.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5973 -0.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2471 -0.2002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4222 -0.2001 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.4222 -1.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7717 2.3318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3848 1.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 3.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0992 2.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3848 0.9548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9278 2.9993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8138 1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0995 0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8138 0.9549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5283 2.1924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3014 -1.9641 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1277 -1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8421 -2.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5869 -2.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5869 -3.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8421 -3.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5566 -3.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -3.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -2.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9855 -3.6141 0.0000 O 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 51 1 0 0 0 0 51 49 1 0 0 0 0 49 50 2 0 0 0 0 50 53 1 0 0 0 0 51 52 2 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 55 57 2 0 0 0 0 M END > LMFA07050165 > (Z)-2,3-dehydroadipoyl-CoA > 6-carboxy-2Z-hexenoyl-CoA > C27H42N7O19P3S > 893.15 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 2,3-dehydroadipyl-CoA > ZFXICKRXPZTFPB-FZHFFJAKSA-N > InChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h4,6,13-15,20-22,26,39-40H,3,5,7-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b6-4-/t15-,20-,21-,22+,26-/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\CCC(=O)O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 68471 > CoA 6:2;O2 > - > - > 46926263 > - > 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] > -; -; -; -; - > - > - $$$$