LMFA07050189 LIPID_MAPS_STRUCTURE_DATABASE 55 57 0 0 0 0 999 V2000 25.6332 -1.4778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.9658 -0.9929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3783 -2.2624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.2983 -1.4778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.5533 -2.2624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8632 -2.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8875 -5.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6303 -5.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1730 -5.9313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4586 -5.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7441 -5.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2014 -4.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4586 -4.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2014 -3.4563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7725 -3.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4869 -3.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9159 -2.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7889 -1.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2014 -1.8062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.6139 -1.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4869 -2.2187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7724 -1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6303 -1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2803 -1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9303 -1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4553 -0.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4553 -2.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1053 -0.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1053 -2.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4553 -1.8062 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.1053 -1.8062 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.5137 -1.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0683 -2.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2433 -3.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8933 -3.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0683 -3.7549 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.0683 -4.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4178 -1.2229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.0310 -1.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7534 -0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7454 -1.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0310 -2.5999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.5739 -0.5554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.4599 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7455 -3.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4599 -2.5998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.1743 -1.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3448 -5.5188 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 23.2027 -5.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0593 -5.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0593 -6.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4882 -5.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4882 -6.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7738 -5.5188 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.7738 -4.6938 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 50 1 0 0 0 0 50 54 1 0 0 0 0 54 52 1 0 0 0 0 52 49 1 0 0 0 0 50 51 2 0 0 0 0 52 53 2 0 0 0 0 54 55 1 0 0 0 0 M END > LMFA07050189 > 2-Methylacetoacetyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} > C26H42N7O18P3S > 865.15 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 2-methyl-3-acetoacetyl-coenzyme A;2-methylacetoacetyl-coenzyme A > C02154 > HMDB01157 > - > 15476 > - > - > - > - > - > 193425 > - > - > Active > - > https://www.lipidmaps.org/data/LMSDRecord.php?LMID=LMFA07050189 $$$$