LMFA07050170 LIPID_MAPS_STRUCTURE_DATABASE 59 61 0 0 0 0 999 V2000 28.3341 -1.6248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.6667 -1.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0792 -2.4094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.9992 -1.6248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.2542 -2.4094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.5641 -3.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5884 -5.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3312 -6.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8739 -6.0783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1595 -5.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4450 -6.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9023 -4.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1595 -4.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9023 -3.6033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4734 -3.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1878 -3.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6168 -2.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4898 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9023 -1.9532 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.3148 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1878 -2.3657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4733 -1.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3312 -1.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9812 -1.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6312 -1.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1562 -1.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1562 -2.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8062 -1.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8062 -2.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1562 -1.9532 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.8062 -1.9532 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 26.2146 -1.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7692 -3.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9442 -3.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5942 -3.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7692 -3.9019 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 26.7692 -4.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1187 -1.3699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.7319 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4543 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4463 -1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7319 -2.7469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.2748 -0.7024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.1608 -1.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4464 -3.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1608 -2.7468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.8752 -1.5093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0457 -5.6658 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 24.4746 -5.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9036 -5.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6180 -6.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3325 -5.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7601 -6.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7601 -6.9033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0470 -6.9033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0470 -6.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7614 -5.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1891 -6.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1891 -6.9033 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 53 1 0 0 0 0 53 49 1 0 0 0 0 49 58 2 0 0 0 0 58 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 56 1 0 0 0 0 53 54 2 0 0 0 0 56 55 2 0 0 0 0 56 57 1 0 0 0 0 58 59 1 4 0 0 0 M END > LMFA07050170 > 2,3-didehydropimeloyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhex-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C28H44N7O19P3S > 907.16 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > JLSPXYVUFSDGNY-UYRKPTJQSA-N > InChI=1S/C28H44N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h5,7,14-16,21-23,27,40-41H,3-4,6,8-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t16-,21-,22-,23+,27-/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([H])CCCC(O)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 15503 > CoA 7:2;O2 > - > - > 9543228 > - > 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] > -; -; -; -; - > - > - $$$$