LMFA07050112 LIPID_MAPS_STRUCTURE_DATABASE 57 59 0 0 0 999 V2000 16.8276 -12.6827 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.5580 -11.6839 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.6927 -14.1812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0185 -12.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1533 -14.1812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6927 -13.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5579 -12.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4231 -13.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2883 -12.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1533 -13.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2314 -7.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4232 -7.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9227 -8.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6149 -7.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9237 -8.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5099 -9.5478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0630 -12.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9624 -13.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1978 -13.1822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3327 -12.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4675 -13.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2322 -11.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3327 -11.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2322 -10.1852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5019 -10.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3670 -9.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0974 -8.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7327 -7.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2322 -8.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7317 -7.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3670 -8.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5018 -8.1871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9624 -8.1871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9604 -8.1871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9584 -8.1871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9614 -7.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9614 -9.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9594 -7.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9594 -9.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9614 -8.1871 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.9594 -8.1871 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.6649 -7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3364 -9.5478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3374 -10.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3354 -10.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3364 -10.5468 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.3364 -11.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1814 -7.4808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9240 -8.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5878 -6.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7890 -7.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9240 -9.1482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.5815 -6.6725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.6542 -8.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7891 -9.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6542 -9.1481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.5193 -7.6496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 3 6 2 0 0 0 0 4 10 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 48 1 1 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 13 16 1 6 0 0 0 14 42 1 1 0 0 0 15 14 1 0 0 0 0 15 43 1 6 0 0 0 23 20 1 0 0 0 0 20 19 1 0 0 0 0 19 17 1 0 0 0 0 17 18 1 0 0 0 0 18 1 1 0 0 0 0 20 21 2 0 0 0 0 22 24 1 0 0 0 0 26 24 1 0 0 0 0 23 22 1 0 0 0 0 26 25 2 0 0 0 0 26 31 1 0 0 0 0 31 29 1 0 0 0 0 29 27 1 0 0 0 0 27 33 1 0 0 0 0 29 28 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 6 0 0 0 33 40 1 0 0 0 0 40 34 1 0 0 0 0 34 41 1 0 0 0 0 41 35 1 0 0 0 0 40 36 2 0 0 0 0 40 37 1 0 0 0 0 41 38 2 0 0 0 0 41 39 1 0 0 0 0 42 35 1 0 0 0 0 43 46 1 0 0 0 0 46 44 1 0 0 0 0 46 45 1 0 0 0 0 46 47 2 0 0 0 0 49 48 1 0 0 0 0 50 48 1 0 0 0 0 51 49 2 0 0 0 0 52 49 1 0 0 0 0 53 50 2 0 0 0 0 54 51 1 0 0 0 0 53 51 1 0 0 0 0 55 52 2 0 0 0 0 56 54 2 0 0 0 0 57 54 1 0 0 0 0 56 55 1 0 0 0 0 M END > LMFA07050112 > (2Z)-4-carboxy-2-sulfanylbut-2-enoyl-CoA > 5'-O-[({[4-({3-[(2-{[(2Z)-4-carboxy-2-sulfanylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) > C26H40N7O19P3S2 > 911.10 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (2Z)-4-carboxy-2-sulfanylbut-2-enoyl-coenzyme A > - > - > - > 71243 > - > - > - > - > - > 15944654 > - > - > Active > - > https://www.lipidmaps.org/data/LMSDRecord.php?LMID=LMFA07050112 $$$$