LMFA07050267 LIPID_MAPS_STRUCTURE_DATABASE 56 59 0 0 0 0 999 V2000 26.7997 -2.2126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.1323 -1.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5448 -2.9972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.4648 -2.2126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.7198 -2.9972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.0297 -3.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0540 -6.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7968 -6.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3395 -6.6661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6251 -6.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9106 -6.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3679 -5.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6251 -5.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3679 -4.1911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9390 -4.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6534 -3.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0824 -2.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9554 -1.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3679 -2.5410 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.7804 -1.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6534 -2.9535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9389 -2.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7968 -2.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4468 -2.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0968 -2.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6218 -1.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6218 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2718 -1.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2718 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6218 -2.5410 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.2718 -2.5410 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.6802 -1.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2348 -3.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4098 -4.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0598 -4.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2348 -4.4897 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 25.2348 -5.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5843 -1.9577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.1975 -2.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9199 -1.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9119 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1975 -3.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.7404 -1.2902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.6264 -2.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9120 -3.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6264 -3.3346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.3408 -2.0971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5113 -6.2536 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 22.2258 -7.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2258 -6.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7430 -5.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9542 -5.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9402 -6.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7204 -6.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2166 -5.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0416 -5.8627 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 53 1 0 0 0 0 51 52 1 0 0 0 0 51 55 2 0 0 0 0 52 53 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 M END > LMFA07050267 > 5-hydroxy-2-furoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)3-hydroxy-4-{[3-({2-[(5-hydroxyfuran-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C26H38N7O19P3S > 877.12 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > IDJHMFITFRNMIE-CITAKDKDSA-N > InChI=1S/C26H38N7O19P3S/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-56-25(39)13-3-4-16(35)49-13)10-48-55(45,46)52-54(43,44)47-9-14-19(51-53(40,41)42)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h3-4,11-12,14,18-20,24,35-37H,5-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,18-,19-,20+,24-/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(C2OC(O)=CC=2)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 15510 > CoA 5:3;O2 > - > - > 135398697 > - > 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] > Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110] > -; -; -; - > - > - $$$$