LMFA07050119 LIPID_MAPS_STRUCTURE_DATABASE 57 59 0 0 0 0 999 V2000 25.9051 -2.2202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.2377 -1.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6502 -3.0048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.5702 -2.2202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.8252 -3.0048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.1351 -3.6723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1594 -6.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9022 -6.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4449 -6.6737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7305 -6.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0160 -6.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4733 -5.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7305 -5.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4733 -4.1987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0444 -4.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7588 -3.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1878 -2.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0608 -1.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4733 -2.5486 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.8858 -1.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7588 -2.9611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0443 -2.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9022 -2.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5522 -2.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2022 -2.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7272 -1.7236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7272 -3.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3772 -1.7236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3772 -3.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7272 -2.5486 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.3772 -2.5486 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.7856 -1.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3402 -3.6723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5152 -4.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1652 -4.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3402 -4.4973 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.3402 -5.3223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6897 -1.9653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.3029 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0253 -1.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0173 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3029 -3.3423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.8458 -1.2978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.7318 -2.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0174 -3.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7318 -3.3422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.4462 -2.1047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6167 -6.2612 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.3312 -7.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3312 -6.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4746 -5.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4746 -6.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1891 -6.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0457 -6.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1727 -7.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7602 -6.6737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3477 -7.3882 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 50 1 0 0 0 0 50 49 2 0 0 0 0 50 54 1 0 0 0 0 54 56 1 0 0 0 0 56 52 1 0 0 0 0 52 51 1 0 0 0 0 52 53 2 0 0 0 0 56 55 1 6 0 0 0 56 57 1 1 0 0 0 M END > LMFA07050119 > (3S)-citramalyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3-carboxy-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C26H42N7O20P3S > 897.14 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > XYGOWHUIVNMEIA-XBVYHAPZSA-N > InChI=1S/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,17-,18-,19+,23-,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(C[C@@](O)(C)C(=O)O)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 36882 > CoA 5:1;O3 > - > - > 11966212 > - > 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] > -; -; -; -; - > - > - $$$$