LMFA07050336 LIPID_MAPS_STRUCTURE_DATABASE 54 56 0 0 0 0 999 V2000 26.6053 -2.0449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.9379 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3504 -2.8295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.2704 -2.0449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.5254 -2.8295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.8353 -3.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8596 -6.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6024 -6.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1451 -6.4984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4307 -6.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7162 -6.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1735 -4.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4307 -5.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1735 -4.0234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7446 -4.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4590 -3.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8880 -2.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7610 -1.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1735 -2.3733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.5860 -1.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4590 -2.7858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7445 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6024 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2524 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9024 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4274 -1.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4274 -3.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0774 -1.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0774 -3.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4274 -2.3733 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.0774 -2.3733 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.4858 -1.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0404 -3.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2154 -4.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8654 -4.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0404 -4.3220 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 25.0404 -5.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3899 -1.7900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.0031 -2.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7255 -1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7175 -1.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0031 -3.1670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.5460 -1.1225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.4320 -2.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7176 -3.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4320 -3.1669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.1464 -1.9294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3169 -6.0859 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 22.7458 -6.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1747 -6.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0313 -6.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0313 -7.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4603 -6.4984 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.4603 -7.3234 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 51 1 0 0 0 0 51 49 1 0 0 0 0 49 53 1 0 0 0 0 53 50 1 0 0 0 0 51 52 2 0 0 0 0 53 54 1 0 0 0 0 M END > LMFA07050336 > Isovaleryl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} > C26H44N7O17P3S > 851.17 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 3-methylbutanoyl-coenzyme A;3-methylbutyryl-CoA;3-methylbutyryl-coenzyme A;beta-methylbutanoyl-CoA;beta-methylbutanoyl-coenzyme A;beta-methylbutyryl-CoA;beta-methylbutyryl-coenzyme A;isovaleryl-coenzyme A > C02939 > HMDB01113 > - > 15487 > - > - > - > - > - > 165435 > - > - > Active > - > https://www.lipidmaps.org/data/LMSDRecord.php?LMID=LMFA07050336 $$$$