LMFA07050299 LIPID_MAPS_STRUCTURE_DATABASE 57 59 0 0 0 0 999 V2000 34.5734 -9.2314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 33.9060 -8.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3185 -10.0160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.2385 -9.2314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.4935 -10.0160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.8034 -10.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8277 -13.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5705 -13.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1132 -13.6849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.3988 -13.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6843 -13.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1416 -12.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3988 -12.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1416 -11.2099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.7127 -11.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4271 -10.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8561 -9.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7291 -8.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1416 -9.5598 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 27.5541 -8.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4271 -9.9723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.7126 -9.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5705 -9.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.2205 -9.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8705 -9.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3955 -8.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3955 -10.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0455 -8.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0455 -10.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3955 -9.5598 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 31.0455 -9.5598 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 32.4539 -8.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0085 -10.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3129 -11.5085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8335 -11.5085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0085 -11.5085 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 33.0085 -12.3335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3580 -8.9765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.9712 -9.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6936 -8.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6856 -9.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9712 -10.3535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.5141 -8.3090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.4001 -9.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6857 -10.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4001 -10.3534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 38.1145 -9.1159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.2850 -13.2724 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 30.7140 -13.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4285 -13.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9995 -13.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9995 -14.5099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1429 -13.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1429 -12.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4284 -11.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4284 -12.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7139 -12.4474 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 51 1 0 0 0 0 51 49 1 0 0 0 0 49 50 1 0 0 0 0 50 53 2 0 0 0 0 51 52 2 0 0 0 0 53 54 1 0 0 0 0 54 56 1 0 0 0 0 56 55 2 0 0 0 0 56 57 1 0 0 0 0 M END > LMFA07050299 > cis-3,4-didehydroadipoyl-CoA semialdehyde > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(3Z)-6-oxohex-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate} > C27H42N7O18P3S > 877.15 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 3,4-dehydroadipyl-CoA semialdehyde > - > - > - > 49180 > - > - > - > - > - > 24798714 > - > - > Active > - > https://www.lipidmaps.org/data/LMSDRecord.php?LMID=LMFA07050299 $$$$